7-{9-[3-(4,6-Diphenylpyrimidin-2-yl)phenyl]-9H-carbazol-3-yl}-12,12-dimethyl-10-phenyl-10,12-dihydro-10-azaindeno[2,1-b]fluorene

HCID 67950514
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Basic information

Standard SMILES
CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)ccc4n(-c4ccccc4)c3cc21
InChIKey
KQFIAARCXQZMAP-UHFFFAOYSA-N
Molecular formula
C61H42N4
Average molar mass
831 g/mol
Monoisotopic mass
830.34094736

Names & identifiers

Preferred name
7-{9-[3-(4,6-Diphenylpyrimidin-2-yl)phenyl]-9H-carbazol-3-yl}-12,12-dimethyl-10-phenyl-10,12-dihydro-10-azaindeno[2,1-b]fluorene
IUPAC
2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole

Names & synonyms

SCHEMBL9883234KQFIAARCXQZMAP-UHFFFAOYSA-N7-{9-[3-(4,6-Diphenylpyrimidin-2-yl)phenyl]-9H-carbazol-3-yl}-12,12-dimethyl-10-phenyl-10,12-dihydro-10-azaindeno[2,1-b]fluorene

Database identifiers

PubChem CID
67950514

Properties

Computed structural properties

XLogP
15.5
Topological polar surface area
35.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
65

Related reactions

1 records
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Compound notes

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