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

C52H34N4 — CID 118587604

IUPAC9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cnc54)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H34N4/c1-4-15-35(16-5-1)47-32-39(33-48(54-47)36-17-6-2-7-18-36)37-19-14-22-42(29-37)56-50-26-13-11-24-44(50)46-31-40(34-53-52(46)56)38-27-28-51-45(30-38)43-23-10-12-25-49(43)55(51)41-20-8-3-9-21-41/h1-34H
InChIKeyYWDUMQAIBRYDOD-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.34
Rot. Bonds6

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

9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole (PubChem CID 118587604) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole
PubChem CID118587604
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cnc54)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H34N4/c1-4-15-35(16-5-1)47-32-39(33-48(54-47)36-17-6-2-7-18-36)37-19-14-22-42(29-37)56-50-26-13-11-24-44(50)46-31-40(34-53-52(46)56)38-27-28-51-45(30-38)43-23-10-12-25-49(43)55(51)41-20-8-3-9-21-41/h1-34H
InChIKeyYWDUMQAIBRYDOD-UHFFFAOYSA-N
XLogP13.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)pyrido[2,3-b]indole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)pyrido[2,3-b]indole;9-phenyl-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole
CID 162059375
3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole
CID 160982403
9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole
CID 161083506
2-[3-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149380
3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 71286941
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 161437197
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511300
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943621
5-(3-phenylphenyl)-7-[4-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole
CID 155241176
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 158322806

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole?
The IUPAC name of 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole (CID 118587604) is 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole?
The canonical SMILES for 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole is c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cnc54)c3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole?
The InChIKey is YWDUMQAIBRYDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-4-15-35(16-5-1)47-32-39(33-48(54-47)36-17-6-2-7-18-36)37-19-14-22-42(29-37)56-50-26-13-11-24-44(50)46-31-40(34-53-52(46)56)38-27-28-51-45(30-38)43-23-10-12-25-49(43)55(51)41-20-8-3-9-21-41/h1-34H.
What are the key properties of 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole?
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole has a molecular weight of 714.87 g/mol, XLogP of 13.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 118587604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).