5-[6-[6-(3,5-diphenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole

C39H26N4 — CID 59480357

IUPAC5-[6-[6-(3,5-diphenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-n5c6ccccc6c6cnccc65)n4)n3)c2)cc1
InChIInChI=1S/C39H26N4/c1-3-11-27(12-4-1)29-23-30(28-13-5-2-6-14-28)25-31(24-29)34-16-9-17-35(41-34)36-18-10-20-39(42-36)43-37-19-8-7-15-32(37)33-26-40-22-21-38(33)43/h1-26H
InChIKeyPEAJVQKTBQFSBQ-UHFFFAOYSA-N
MW550.67 g/mol
LogP9.64
Rot. Bonds5

About 5-[6-[6-(3,5-diphenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole

5-[6-[6-(3,5-diphenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole (PubChem CID 59480357) has the molecular formula C39H26N4 and a molecular weight of 550.67 g/mol. Its IUPAC name is 5-[6-[6-(3,5-diphenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[6-[6-(3,5-diphenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
PubChem CID59480357
Molecular FormulaC39H26N4
Molecular Weight550.67 g/mol
Exact Mass550.22
IUPAC Name5-[6-[6-(3,5-diphenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-n5c6ccccc6c6cnccc65)n4)n3)c2)cc1
InChIInChI=1S/C39H26N4/c1-3-11-27(12-4-1)29-23-30(28-13-5-2-6-14-28)25-31(24-29)34-16-9-17-35(41-34)36-18-10-20-39(42-36)43-37-19-8-7-15-32(37)33-26-40-22-21-38(33)43/h1-26H
InChIKeyPEAJVQKTBQFSBQ-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

Analyze 5-[6-[6-(3,5-diphenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indole
CID 59480507
9-[6-[6-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
CID 59480347
9-[6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbazole
CID 138513651
9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(4,6-diphenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 165167552
5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
CID 59480434
9,14-bis[6-(3,5-diphenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58570081
9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole
CID 59480497
5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
CID 58202927
9-[6-[6-[6-[6-carbazol-9-yl-4-(3-phenylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(3-phenylphenyl)-2-pyridinyl]carbazole
CID 165167516
5,7-bis[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-b]carbazole
CID 58570110
5-[6-[3-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-5-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole
CID 71021903
5-[2-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59480516

Frequently Asked Questions

What is the IUPAC name of 5-[6-[6-(3,5-diphenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[6-[6-(3,5-diphenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole (CID 59480357) is 5-[6-[6-(3,5-diphenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[6-[6-(3,5-diphenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[6-[6-(3,5-diphenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-n5c6ccccc6c6cnccc65)n4)n3)c2)cc1.
What is the InChIKey of 5-[6-[6-(3,5-diphenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole?
The InChIKey is PEAJVQKTBQFSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4/c1-3-11-27(12-4-1)29-23-30(28-13-5-2-6-14-28)25-31(24-29)34-16-9-17-35(41-34)36-18-10-20-39(42-36)43-37-19-8-7-15-32(37)33-26-40-22-21-38(33)43/h1-26H.
What are the key properties of 5-[6-[6-(3,5-diphenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole?
5-[6-[6-(3,5-diphenylphenyl)-2-pyridinyl]-2-pyridinyl]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-[6-[6-(3,5-diphenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole is sourced from PubChem (CID 59480357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).