5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole

C52H34N4 — CID 118587633

IUPAC5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5ncccc54)cc3)c2)cc1
InChIInChI=1S/C52H34N4/c1-4-13-35(14-5-1)40-33-46(36-15-6-2-7-16-36)54-47(34-40)37-22-26-42(27-23-37)56-50-29-25-39(32-45(50)52-51(56)21-12-30-53-52)38-24-28-49-44(31-38)43-19-10-11-20-48(43)55(49)41-17-8-3-9-18-41/h1-34H
InChIKeyCEIDLZNGMTWNRY-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.34
Rot. Bonds6

About 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole

5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole (PubChem CID 118587633) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
PubChem CID118587633
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5ncccc54)cc3)c2)cc1
InChIInChI=1S/C52H34N4/c1-4-13-35(14-5-1)40-33-46(36-15-6-2-7-16-36)54-47(34-40)37-22-26-42(27-23-37)56-50-29-25-39(32-45(50)52-51(56)21-12-30-53-52)38-24-28-49-44(31-38)43-19-10-11-20-48(43)55(49)41-17-8-3-9-18-41/h1-34H
InChIKeyCEIDLZNGMTWNRY-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

Analyze 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole with MolForge

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Related Compounds

8-[9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 118587644
5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 129222031
8-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole
CID 129221693
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 129221991
8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 118587585
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573
8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole
CID 129221525
5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587590
8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole
CID 129221860
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

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole?
The IUPAC name of 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole (CID 118587633) is 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole.
What is the SMILES notation for 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole?
The canonical SMILES for 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5ncccc54)cc3)c2)cc1.
What is the InChIKey of 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole?
The InChIKey is CEIDLZNGMTWNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-4-13-35(14-5-1)40-33-46(36-15-6-2-7-16-36)54-47(34-40)37-22-26-42(27-23-37)56-50-29-25-39(32-45(50)52-51(56)21-12-30-53-52)38-24-28-49-44(31-38)43-19-10-11-20-48(43)55(49)41-17-8-3-9-18-41/h1-34H.
What are the key properties of 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole?
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-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 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole is sourced from PubChem (CID 118587633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).