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

C52H34N4 — CID 129221860

IUPAC8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)cccc54)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H34N4/c1-4-15-35(16-5-1)45-33-39(34-46(54-45)36-17-6-2-7-18-36)37-19-12-22-41(31-37)56-47-25-11-10-23-43(47)51-42(24-13-26-49(51)56)38-28-29-48-44(32-38)52-50(27-14-30-53-52)55(48)40-20-8-3-9-21-40/h1-34H
InChIKeyIUKZEOJCRMJXIX-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.34
Rot. Bonds6

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

8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole (PubChem CID 129221860) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole.

Molecular Properties

Compound Name8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole
PubChem CID129221860
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)cccc54)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H34N4/c1-4-15-35(16-5-1)45-33-39(34-46(54-45)36-17-6-2-7-18-36)37-19-12-22-41(31-37)56-47-25-11-10-23-43(47)51-42(24-13-26-49(51)56)38-28-29-48-44(32-38)52-50(27-14-30-53-52)55(48)40-20-8-3-9-21-40/h1-34H
InChIKeyIUKZEOJCRMJXIX-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

5-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-8-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole
CID 159364735
5-[3-(3,5-dipyridin-2-ylphenyl)phenyl]-8-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole;5-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-8-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole
CID 158500543
8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole
CID 129221525
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole;9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole
CID 158281604
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587633
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole
CID 118587050
5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole
CID 129221830
8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole;8-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-4-yl]-5-phenylpyrido[3,2-b]indole
CID 161498366
6-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 159460585
5-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-4-yl]pyrido[3,2-b]indole
CID 118586979
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

Frequently Asked Questions

What is the IUPAC name of 8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole?
The IUPAC name of 8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole (CID 129221860) is 8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole.
What is the SMILES notation for 8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole?
The canonical SMILES for 8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole is c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)cccc54)c3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole?
The InChIKey is IUKZEOJCRMJXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-4-15-35(16-5-1)45-33-39(34-46(54-45)36-17-6-2-7-18-36)37-19-12-22-41(31-37)56-47-25-11-10-23-43(47)51-42(24-13-26-49(51)56)38-28-29-48-44(32-38)52-50(27-14-30-53-52)55(48)40-20-8-3-9-21-40/h1-34H.
What are the key properties of 8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole?
8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-5-phenylpyrido[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 8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole is sourced from PubChem (CID 129221860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).