10H-Benzo(e)pyrido(4,3-b)indol-10-yloxy, 7-hexyl-7,8,9,11-tetrahydro-9,9,11,11-tetramethyl-

HCID 190033

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Basic information

CAS: 77067-80-2
Standard SMILES: CCCCCCn1c2c(c3c4ccccc4ccc31)C(C)(C)N([O])C(C)(C)C2
InChIKey: ABPARPRPANIKJB-UHFFFAOYSA-N
Molecular formula: C25H33N2O
Average molar mass: 377.5 g/mol
Monoisotopic mass: 377.25928868

Names & identifiers

Preferred name: 10H-Benzo(e)pyrido(4,3-b)indol-10-yloxy, 7-hexyl-7,8,9,11-tetrahydro-9,9,11,11-tetramethyl-
IUPAC: (7-Hexyl-9,9,11,11-tetramethyl-7,8,9,11-tetrahydro-10H-benzo[e]pyrido[4,3-b]indol-10-yl)oxidanyl

Names & synonyms

77067-80-210H-Benzo(e)pyrido(4,3-b)indol-10-yloxy, 7-hexyl-7,8,9,11-tetrahydro-9,9,11,11-tetramethyl-10H-Benzo[e]pyrido[4,3-b]indol-10-yloxy, 7-hexyl-7,8,9,11-tetrahydro-9,9,11,11-tetramethyl-DTXSID30227864(7-hexyl-9,9,11,11-tetramethyl-7,8,9,11-tetrahydro-10H-benzo[e]pyrido[4,3-b]indol-10-yl)oxidanyl

Database identifiers

CAS: 77067-80-2
PubChem CID: 190033
DTXSID: DTXSID30227864

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 28
Formal charge: 0
Complexity: 545

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