5-(2,2-diphenylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C27H26N2 — CID 59455232

IUPAC5-(2,2-diphenylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2C=C(c2ccccc2)c2ccccc2)CCN(C)C1
InChIInChI=1S/C27H26N2/c1-20-13-14-26-23(17-20)25-18-28(2)16-15-27(25)29(26)19-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17,19H,15-16,18H2,1-2H3
InChIKeyKXCNCYVWUBZPRL-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.98
Rot. Bonds3

About 5-(2,2-diphenylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

5-(2,2-diphenylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 59455232) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 5-(2,2-diphenylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-(2,2-diphenylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID59455232
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC Name5-(2,2-diphenylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2C=C(c2ccccc2)c2ccccc2)CCN(C)C1
InChIInChI=1S/C27H26N2/c1-20-13-14-26-23(17-20)25-18-28(2)16-15-27(25)29(26)19-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17,19H,15-16,18H2,1-2H3
InChIKeyKXCNCYVWUBZPRL-UHFFFAOYSA-N
XLogP5.98
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenone(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-diphenylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 5-(2,2-diphenylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 59455232) is 5-(2,2-diphenylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 5-(2,2-diphenylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 5-(2,2-diphenylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc2c(c1)c1c(n2C=C(c2ccccc2)c2ccccc2)CCN(C)C1.
What is the InChIKey of 5-(2,2-diphenylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is KXCNCYVWUBZPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2/c1-20-13-14-26-23(17-20)25-18-28(2)16-15-27(25)29(26)19-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17,19H,15-16,18H2,1-2H3.
What are the key properties of 5-(2,2-diphenylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
5-(2,2-diphenylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 378.52 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-diphenylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 59455232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).