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

C39H26N4 — CID 59325997

IUPAC9-[4-[4-(3-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]phenyl]pyrido[3,4-b]indole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccncc65)cc4)nc(-c4ccccn4)c3)c2)cc1
InChIInChI=1S/C39H26N4/c1-2-9-27(10-3-1)29-11-8-12-30(23-29)31-24-36(42-37(25-31)35-14-6-7-21-41-35)28-16-18-32(19-17-28)43-38-15-5-4-13-33(38)34-20-22-40-26-39(34)43/h1-26H
InChIKeyHAXZAROGKYVSMY-UHFFFAOYSA-N
MW550.67 g/mol
LogP9.64
Rot. Bonds5

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

9-[4-[4-(3-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]phenyl]pyrido[3,4-b]indole (PubChem CID 59325997) has the molecular formula C39H26N4 and a molecular weight of 550.67 g/mol. Its IUPAC name is 9-[4-[4-(3-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]phenyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[4-[4-(3-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]phenyl]pyrido[3,4-b]indole
PubChem CID59325997
Molecular FormulaC39H26N4
Molecular Weight550.67 g/mol
Exact Mass550.22
IUPAC Name9-[4-[4-(3-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]phenyl]pyrido[3,4-b]indole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccncc65)cc4)nc(-c4ccccn4)c3)c2)cc1
InChIInChI=1S/C39H26N4/c1-2-9-27(10-3-1)29-11-8-12-30(23-29)31-24-36(42-37(25-31)35-14-6-7-21-41-35)28-16-18-32(19-17-28)43-38-15-5-4-13-33(38)34-20-22-40-26-39(34)43/h1-26H
InChIKeyHAXZAROGKYVSMY-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

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-[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-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59326106
9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289394
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289395
9-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]pyrido[3,4-b]indole;9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 159798097
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943390
9-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58943594
9-[4-[4-[3-[3-[3-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]phenyl]-5-phenylphenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole
CID 58943378
9-[4-[3-[6-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-2-pyridinyl]phenyl]phenyl]carbazole
CID 58943592
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

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(3-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]phenyl]pyrido[3,4-b]indole?
The IUPAC name of 9-[4-[4-(3-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]phenyl]pyrido[3,4-b]indole (CID 59325997) is 9-[4-[4-(3-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]phenyl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-[4-[4-(3-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]phenyl]pyrido[3,4-b]indole?
The canonical SMILES for 9-[4-[4-(3-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]phenyl]pyrido[3,4-b]indole is c1ccc(-c2cccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccncc65)cc4)nc(-c4ccccn4)c3)c2)cc1.
What is the InChIKey of 9-[4-[4-(3-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]phenyl]pyrido[3,4-b]indole?
The InChIKey is HAXZAROGKYVSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4/c1-2-9-27(10-3-1)29-11-8-12-30(23-29)31-24-36(42-37(25-31)35-14-6-7-21-41-35)28-16-18-32(19-17-28)43-38-15-5-4-13-33(38)34-20-22-40-26-39(34)43/h1-26H.
What are the key properties of 9-[4-[4-(3-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]phenyl]pyrido[3,4-b]indole?
9-[4-[4-(3-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]phenyl]pyrido[3,4-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 9-[4-[4-(3-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]phenyl]pyrido[3,4-b]indole is sourced from PubChem (CID 59325997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).