5-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole

C37H24N4 — CID 59325982

IUPAC5-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole
SMILESc1cncc(-c2cc(-c3cccc4ccccc34)cc(-c3ccc(-n4c5ccccc5c5cnccc54)cc3)n2)c1
InChIInChI=1S/C37H24N4/c1-2-10-30-25(7-1)8-5-12-31(30)28-21-34(40-35(22-28)27-9-6-19-38-23-27)26-14-16-29(17-15-26)41-36-13-4-3-11-32(36)33-24-39-20-18-37(33)41/h1-24H
InChIKeyMOXNVOXEMQKTKF-UHFFFAOYSA-N
MW524.63 g/mol
LogP9.12
Rot. Bonds4

About 5-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole

5-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole (PubChem CID 59325982) has the molecular formula C37H24N4 and a molecular weight of 524.63 g/mol. Its IUPAC name is 5-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole
PubChem CID59325982
Molecular FormulaC37H24N4
Molecular Weight524.63 g/mol
Exact Mass524.20
IUPAC Name5-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole
SMILESc1cncc(-c2cc(-c3cccc4ccccc34)cc(-c3ccc(-n4c5ccccc5c5cnccc54)cc3)n2)c1
InChIInChI=1S/C37H24N4/c1-2-10-30-25(7-1)8-5-12-31(30)28-21-34(40-35(22-28)27-9-6-19-38-23-27)26-14-16-29(17-15-26)41-36-13-4-3-11-32(36)33-24-39-20-18-37(33)41/h1-24H
InChIKeyMOXNVOXEMQKTKF-UHFFFAOYSA-N
XLogP9.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.63
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]-1-phenylpyrido[4,3-b]indole
CID 59325965
9-(2,6-dipyridin-3-yl-4-pyridinyl)carbazole
CID 135264911
9-[4-[2-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 121422907
5-phenyl-8-[10-[3-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]anthracen-9-yl]pyrido[4,3-b]indole
CID 118968783
9-[4-[6-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-2-pyridinyl]phenyl]carbazole
CID 58489429
8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole
CID 135252602
2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-pyridin-3-ylpyrimidine
CID 155089111
8-[4-[6-naphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole;5-(4-phenylphenyl)-8-[4-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole
CID 158697190
9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole
CID 163966802
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
5-[4-[6-[6-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 58098979
2-(3-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyridine
CID 134320914

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole (CID 59325982) is 5-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole is c1cncc(-c2cc(-c3cccc4ccccc34)cc(-c3ccc(-n4c5ccccc5c5cnccc54)cc3)n2)c1.
What is the InChIKey of 5-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole?
The InChIKey is MOXNVOXEMQKTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N4/c1-2-10-30-25(7-1)8-5-12-31(30)28-21-34(40-35(22-28)27-9-6-19-38-23-27)26-14-16-29(17-15-26)41-36-13-4-3-11-32(36)33-24-39-20-18-37(33)41/h1-24H.
What are the key properties of 5-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole?
5-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole has a molecular weight of 524.63 g/mol, XLogP of 9.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 59325982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).