8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole

C47H30N4 — CID 170060405

IUPAC8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole
SMILESc1ccc(-n2c3ccncc3c3cc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)ccc32)cc1
InChIInChI=1S/C47H30N4/c1-2-10-33(11-3-1)49-45-24-20-32(28-39(45)41-30-48-27-26-47(41)49)31-18-21-34(22-19-31)50-44-17-9-6-14-38(44)40-29-35(23-25-46(40)50)51-42-15-7-4-12-36(42)37-13-5-8-16-43(37)51/h1-30H
InChIKeyQPGBAGRCWUONNA-UHFFFAOYSA-N
MW650.79 g/mol
LogP12.04
Rot. Bonds4

About 8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole

8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole (PubChem CID 170060405) has the molecular formula C47H30N4 and a molecular weight of 650.79 g/mol. Its IUPAC name is 8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole.

Molecular Properties

Compound Name8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole
PubChem CID170060405
Molecular FormulaC47H30N4
Molecular Weight650.79 g/mol
Exact Mass650.25
IUPAC Name8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole
SMILESc1ccc(-n2c3ccncc3c3cc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)ccc32)cc1
InChIInChI=1S/C47H30N4/c1-2-10-33(11-3-1)49-45-24-20-32(28-39(45)41-30-48-27-26-47(41)49)31-18-21-34(22-19-31)50-44-17-9-6-14-38(44)40-29-35(23-25-46(40)50)51-42-15-7-4-12-36(42)37-13-5-8-16-43(37)51/h1-30H
InChIKeyQPGBAGRCWUONNA-UHFFFAOYSA-N
XLogP12.04
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.79
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
5-(3-carbazol-9-ylphenyl)-8-phenylpyrido[4,3-b]indole
CID 170060228
8-phenyl-5-[4-(6-pyrido[4,3-b]indol-5-ylpyrido[2,3-b]indol-9-yl)phenyl]pyrido[4,3-b]indole
CID 170061041
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole
CID 90336649
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59372042
8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole
CID 70663911
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403

Frequently Asked Questions

What is the IUPAC name of 8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole?
The IUPAC name of 8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole (CID 170060405) is 8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole.
What is the SMILES notation for 8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole?
The canonical SMILES for 8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole is c1ccc(-n2c3ccncc3c3cc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)ccc32)cc1.
What is the InChIKey of 8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole?
The InChIKey is QPGBAGRCWUONNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4/c1-2-10-33(11-3-1)49-45-24-20-32(28-39(45)41-30-48-27-26-47(41)49)31-18-21-34(22-19-31)50-44-17-9-6-14-38(44)40-29-35(23-25-46(40)50)51-42-15-7-4-12-36(42)37-13-5-8-16-43(37)51/h1-30H.
What are the key properties of 8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole?
8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole has a molecular weight of 650.79 g/mol, XLogP of 12.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole is sourced from PubChem (CID 170060405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).