9-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyrido[3,4-b]indole

C38H25N5 — CID 58750621

IUPAC9-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyrido[3,4-b]indole
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccncc65)cc4)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C38H25N5/c1-2-10-37-31(7-1)32-19-22-39-25-38(32)43(37)30-17-15-27(16-18-30)26-11-13-28(14-12-26)29-23-35(33-8-3-5-20-40-33)42-36(24-29)34-9-4-6-21-41-34/h1-25H
InChIKeySKRUSIHGDBUREE-UHFFFAOYSA-N
MW551.65 g/mol
LogP9.03
Rot. Bonds5

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

9-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyrido[3,4-b]indole (PubChem CID 58750621) has the molecular formula C38H25N5 and a molecular weight of 551.65 g/mol. Its IUPAC name is 9-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyrido[3,4-b]indole
PubChem CID58750621
Molecular FormulaC38H25N5
Molecular Weight551.65 g/mol
Exact Mass551.21
IUPAC Name9-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyrido[3,4-b]indole
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccncc65)cc4)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C38H25N5/c1-2-10-37-31(7-1)32-19-22-39-25-38(32)43(37)30-17-15-27(16-18-30)26-11-13-28(14-12-26)29-23-35(33-8-3-5-20-40-33)42-36(24-29)34-9-4-6-21-41-34/h1-25H
InChIKeySKRUSIHGDBUREE-UHFFFAOYSA-N
XLogP9.03
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,4-b]indole
CID 58750680
9-[4-[4-(3-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]phenyl]pyrido[3,4-b]indole
CID 59325997
5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59326106
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
9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole
CID 164817113
9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289394
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-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole;9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole;9-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 157415442
8-[9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 118587644
2-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine;9-[3-carbazol-9-yl-5-(4-pyridin-2-ylphenyl)phenyl]carbazole;4-[4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 162103136
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289395
2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 134252122

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyrido[3,4-b]indole?
The IUPAC name of 9-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyrido[3,4-b]indole (CID 58750621) is 9-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyrido[3,4-b]indole?
The canonical SMILES for 9-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyrido[3,4-b]indole is c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccncc65)cc4)cc3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 9-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyrido[3,4-b]indole?
The InChIKey is SKRUSIHGDBUREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N5/c1-2-10-37-31(7-1)32-19-22-39-25-38(32)43(37)30-17-15-27(16-18-30)26-11-13-28(14-12-26)29-23-35(33-8-3-5-20-40-33)42-36(24-29)34-9-4-6-21-41-34/h1-25H.
What are the key properties of 9-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyrido[3,4-b]indole?
9-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyrido[3,4-b]indole has a molecular weight of 551.65 g/mol, XLogP of 9.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyrido[3,4-b]indole is sourced from PubChem (CID 58750621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).