2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole

C57H37N5 — CID 134252122

IUPAC2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)cc65)c4)c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C57H37N5/c1-4-25-54-46(20-1)47-21-2-5-26-55(47)61(54)44-18-13-17-41(34-44)42-28-29-49-48-22-3-6-27-56(48)62(57(49)37-42)45-19-12-16-40(33-45)38-14-11-15-39(32-38)43-35-52(50-23-7-9-30-58-50)60-53(36-43)51-24-8-10-31-59-51/h1-37H
InChIKeyRAQJMXNZKUIXRH-UHFFFAOYSA-N
MW791.96 g/mol
LogP14.40
Rot. Bonds7

About 2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole

2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole (PubChem CID 134252122) has the molecular formula C57H37N5 and a molecular weight of 791.96 g/mol. Its IUPAC name is 2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
PubChem CID134252122
Molecular FormulaC57H37N5
Molecular Weight791.96 g/mol
Exact Mass791.30
IUPAC Name2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)cc65)c4)c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C57H37N5/c1-4-25-54-46(20-1)47-21-2-5-26-55(47)61(54)44-18-13-17-41(34-44)42-28-29-49-48-22-3-6-27-56(48)62(57(49)37-42)45-19-12-16-40(33-45)38-14-11-15-39(32-38)43-35-52(50-23-7-9-30-58-50)60-53(36-43)51-24-8-10-31-59-51/h1-37H
InChIKeyRAQJMXNZKUIXRH-UHFFFAOYSA-N
XLogP14.40
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.96
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 118587835
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289395
2-[4-(4-phenylphenyl)-2-pyridinyl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 140825608
7-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole;7-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole;7-[9-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 159163877
5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59326106
5-phenyl-7-[9-[3-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]carbazol-1-yl]pyrido[3,2-b]indole
CID 158151336
2-bromo-9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole
CID 118587567
5-[3-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[4,3-b]indole
CID 59326078
9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221681
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
2,4-bis(4-phenylphenyl)-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidine;4-(3,5-diphenylphenyl)-2-phenyl-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidine;9-[3-[2-phenyl-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[2-phenyl-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidin-4-yl]phenyl]carbazole
CID 165110893

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole?
The IUPAC name of 2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole (CID 134252122) is 2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole?
The canonical SMILES for 2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole is c1ccc(-c2cc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)cc65)c4)c3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole?
The InChIKey is RAQJMXNZKUIXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5/c1-4-25-54-46(20-1)47-21-2-5-26-55(47)61(54)44-18-13-17-41(34-44)42-28-29-49-48-22-3-6-27-56(48)62(57(49)37-42)45-19-12-16-40(33-45)38-14-11-15-39(32-38)43-35-52(50-23-7-9-30-58-50)60-53(36-43)51-24-8-10-31-59-51/h1-37H.
What are the key properties of 2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole?
2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole has a molecular weight of 791.96 g/mol, XLogP of 14.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 134252122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).