9-phenyl-6-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole

C35H23N3 — CID 129221469

IUPAC9-phenyl-6-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole
SMILESc1ccc(-n2c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3c3ccncc32)cc1
InChIInChI=1S/C35H23N3/c1-3-10-25(11-4-1)37-33-19-18-24(22-31(33)29-20-21-36-23-34(29)37)27-15-9-16-30-28-14-7-8-17-32(28)38(35(27)30)26-12-5-2-6-13-26/h1-23H
InChIKeyQXKYSASTDALLJU-UHFFFAOYSA-N
MW485.59 g/mol
LogP8.94
Rot. Bonds3

About 9-phenyl-6-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole

9-phenyl-6-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole (PubChem CID 129221469) has the molecular formula C35H23N3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 9-phenyl-6-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-phenyl-6-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole
PubChem CID129221469
Molecular FormulaC35H23N3
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC Name9-phenyl-6-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole
SMILESc1ccc(-n2c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3c3ccncc32)cc1
InChIInChI=1S/C35H23N3/c1-3-10-25(11-4-1)37-33-19-18-24(22-31(33)29-20-21-36-23-34(29)37)27-15-9-16-30-28-14-7-8-17-32(28)38(35(27)30)26-12-5-2-6-13-26/h1-23H
InChIKeyQXKYSASTDALLJU-UHFFFAOYSA-N
XLogP8.94
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-6-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole?
The IUPAC name of 9-phenyl-6-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole (CID 129221469) is 9-phenyl-6-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole.
What is the SMILES notation for 9-phenyl-6-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole?
The canonical SMILES for 9-phenyl-6-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole is c1ccc(-n2c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3c3ccncc32)cc1.
What is the InChIKey of 9-phenyl-6-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole?
The InChIKey is QXKYSASTDALLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3/c1-3-10-25(11-4-1)37-33-19-18-24(22-31(33)29-20-21-36-23-34(29)37)27-15-9-16-30-28-14-7-8-17-32(28)38(35(27)30)26-12-5-2-6-13-26/h1-23H.
What are the key properties of 9-phenyl-6-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole?
9-phenyl-6-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole has a molecular weight of 485.59 g/mol, XLogP of 8.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-6-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole is sourced from PubChem (CID 129221469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).