9-[6-[6-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole

C33H22N4 — CID 59480347

IUPAC9-[6-[6-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
SMILESc1ccc(-c2ccc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccncc65)n4)n3)cc2)cc1
InChIInChI=1S/C33H22N4/c1-2-8-23(9-3-1)24-16-18-25(19-17-24)28-11-6-12-29(35-28)30-13-7-15-33(36-30)37-31-14-5-4-10-26(31)27-20-21-34-22-32(27)37/h1-22H
InChIKeyGCGUGUSFYMMMPD-UHFFFAOYSA-N
MW474.57 g/mol
LogP7.97
Rot. Bonds4

About 9-[6-[6-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole

9-[6-[6-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole (PubChem CID 59480347) has the molecular formula C33H22N4 and a molecular weight of 474.57 g/mol. Its IUPAC name is 9-[6-[6-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[6-[6-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
PubChem CID59480347
Molecular FormulaC33H22N4
Molecular Weight474.57 g/mol
Exact Mass474.18
IUPAC Name9-[6-[6-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
SMILESc1ccc(-c2ccc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccncc65)n4)n3)cc2)cc1
InChIInChI=1S/C33H22N4/c1-2-8-23(9-3-1)24-16-18-25(19-17-24)28-11-6-12-29(35-28)30-13-7-15-33(36-30)37-31-14-5-4-10-26(31)27-20-21-34-22-32(27)37/h1-22H
InChIKeyGCGUGUSFYMMMPD-UHFFFAOYSA-N
XLogP7.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.57
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole
CID 59480497
9-[6-[6-[6-(4-naphthalen-1-ylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
CID 59480322
5-[6-[6-(3,5-diphenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
CID 59480357
9-[6-[6-(6-phenanthren-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
CID 59480401
4-[4-[6-pyridin-4-yl-4-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]benzonitrile
CID 70827248
9-[6-(6-anthracen-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole
CID 89253756
5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indole
CID 59480507
5,7-bis[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-b]carbazole
CID 58570110
9-[6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbazole
CID 138513651
5-[2-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59480516
9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 118041251
9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(4,6-diphenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 165167552

Frequently Asked Questions

What is the IUPAC name of 9-[6-[6-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?
The IUPAC name of 9-[6-[6-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole (CID 59480347) is 9-[6-[6-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-[6-[6-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?
The canonical SMILES for 9-[6-[6-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole is c1ccc(-c2ccc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccncc65)n4)n3)cc2)cc1.
What is the InChIKey of 9-[6-[6-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?
The InChIKey is GCGUGUSFYMMMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4/c1-2-8-23(9-3-1)24-16-18-25(19-17-24)28-11-6-12-29(35-28)30-13-7-15-33(36-30)37-31-14-5-4-10-26(31)27-20-21-34-22-32(27)37/h1-22H.
What are the key properties of 9-[6-[6-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?
9-[6-[6-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole has a molecular weight of 474.57 g/mol, XLogP of 7.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[6-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole is sourced from PubChem (CID 59480347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).