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Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethyl(4-methylphenyl)amino)-2'-(phenylamino)-

HCID 112647
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Basic information

CAS
63430-54-6
Standard SMILES
CCN(c1ccc(C)cc1)c1ccc2c(c1)Oc1ccc(Nc3ccccc3)cc1C21OC(=O)c2ccccc21
InChIKey
KSQRPGOLPPYMJS-UHFFFAOYSA-N
Molecular formula
C35H28N2O3
Average molar mass
524.6 g/mol
Monoisotopic mass
524.20999276

Names & identifiers

Preferred name
Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethyl(4-methylphenyl)amino)-2'-(phenylamino)-
IUPAC
2'-anilino-6'-(N-ethyl-4-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
English name
2'-anilino-6'-[ethyl(p-tolyl)amino]spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
Molecular formula
C35H28N2O3
Molecular weight
524.61

Names & synonyms

EINECS 264-141-1Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-[ethyl(4-methylphenyl)amino]-2'-(phenylamino)-DTXSID808865813'-(N-Ethyl-N-p-tolylamino)-7'-anilinofluoranSpiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethyl(4-methylphenyl)amino)-2'-(phenylamino)-RefChem:888788DTXCID70102590563430-54-62'-Anilino-6'-(ethyl(p-tolyl)amino)spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-oneKSQRPGOLPPYMJS-UHFFFAOYSA-NNS000551762'-Anilino-6'-[ethyl(4-methylphenyl)amino]-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-one
Show more names
2'-anilino-6'-[ethyl(p-tolyl)amino]spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one6-[Ethyl(4-methylphenyl)amino]-2-(phenylamino)spiro[9H-xanthene-9,1'(3'H)-isobenzofuran]-3'-one

Properties

Computed structural properties

XLogP
8.1
Topological polar surface area
50.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
40
Formal charge
0
Complexity
882

Physicochemical properties

EPA Substance Registry System
-1 · Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-[ethyl(4-methylphenyl)amino]-2'-(phenylamino)- (63430-54-6)
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-[ethyl(4-methylphenyl)amino]-2'-(phenylamino)-: INACTIVE

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Compound notes

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Database identifiers

CAS
63430-54-6
PubChem CID
112647
DTXSID
DTXSID80886581
EC Number
264-141-1
Nikkaji
J349.176E