5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole

C39H26N4 — CID 59326106

IUPAC5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6ccccc6c6cnccc65)c4)cc(-c4ccccn4)n3)cc2)cc1
InChIInChI=1S/C39H26N4/c1-2-9-27(10-3-1)28-16-18-29(19-17-28)36-24-31(25-37(42-36)35-14-6-7-21-41-35)30-11-8-12-32(23-30)43-38-15-5-4-13-33(38)34-26-40-22-20-39(34)43/h1-26H
InChIKeyZWQPWWJSGGIATD-UHFFFAOYSA-N
MW550.67 g/mol
LogP9.64
Rot. Bonds5

About 5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole

5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole (PubChem CID 59326106) has the molecular formula C39H26N4 and a molecular weight of 550.67 g/mol. Its IUPAC name is 5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole
PubChem CID59326106
Molecular FormulaC39H26N4
Molecular Weight550.67 g/mol
Exact Mass550.22
IUPAC Name5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6ccccc6c6cnccc65)c4)cc(-c4ccccn4)n3)cc2)cc1
InChIInChI=1S/C39H26N4/c1-2-9-27(10-3-1)28-16-18-29(19-17-28)36-24-31(25-37(42-36)35-14-6-7-21-41-35)30-11-8-12-32(23-30)43-38-15-5-4-13-33(38)34-26-40-22-20-39(34)43/h1-26H
InChIKeyZWQPWWJSGGIATD-UHFFFAOYSA-N
XLogP9.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.67
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[4,3-b]indole
CID 59326078
5-[3-[6-pyridin-2-yl-4-[10-(4-pyrido[4,3-b]indol-5-ylphenyl)anthracen-9-yl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 89119653
9-[4-[4-(3-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]phenyl]pyrido[3,4-b]indole
CID 59325997
9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289394
2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 134252122
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943621
2,4-bis(4-phenylphenyl)-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidine;4-(3,5-diphenylphenyl)-2-phenyl-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidine;9-[3-[2-phenyl-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[2-phenyl-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidin-4-yl]phenyl]carbazole
CID 165110893
9-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyrido[3,4-b]indole
CID 58750621
9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,4-b]indole
CID 58750680
9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane
CID 157279504
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289395
5-[3-[4-(4-methylphenyl)-6-pyridin-2-yl-2-pyridinyl]phenyl]pyrido[4,3-b]indole;5-[3-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;9-[3-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[3,4-b]indole;9-[3-[2-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]phenyl]pyrido[2,3-b]indole
CID 162122463

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole (CID 59326106) is 5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole is c1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6ccccc6c6cnccc65)c4)cc(-c4ccccn4)n3)cc2)cc1.
What is the InChIKey of 5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole?
The InChIKey is ZWQPWWJSGGIATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4/c1-2-9-27(10-3-1)28-16-18-29(19-17-28)36-24-31(25-37(42-36)35-14-6-7-21-41-35)30-11-8-12-32(23-30)43-38-15-5-4-13-33(38)34-26-40-22-20-39(34)43/h1-26H.
What are the key properties of 5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole?
5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole has a molecular weight of 550.67 g/mol, XLogP of 9.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 59326106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).