9-[4-[6-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole

C54H35N5 — CID 58500865

IUPAC9-[4-[6-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
SMILESc1ccc(-n2c(-c3cc(-c4cccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cc(-n4c5ccccc5c5ccccc54)c3)nc3ccccc32)cc1
InChIInChI=1S/C54H35N5/c1-2-15-39(16-3-1)59-53-28-13-8-21-48(53)56-54(59)38-33-37(34-41(35-38)58-51-26-11-6-19-44(51)45-20-7-12-27-52(45)58)47-23-14-22-46(55-47)36-29-31-40(32-30-36)57-49-24-9-4-17-42(49)43-18-5-10-25-50(43)57/h1-35H
InChIKeyMLPLPWVIZZDBMG-UHFFFAOYSA-N
MW753.91 g/mol
LogP13.62
Rot. Bonds6

About 9-[4-[6-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole

9-[4-[6-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole (PubChem CID 58500865) has the molecular formula C54H35N5 and a molecular weight of 753.91 g/mol. Its IUPAC name is 9-[4-[6-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[6-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
PubChem CID58500865
Molecular FormulaC54H35N5
Molecular Weight753.91 g/mol
Exact Mass753.29
IUPAC Name9-[4-[6-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
SMILESc1ccc(-n2c(-c3cc(-c4cccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cc(-n4c5ccccc5c5ccccc54)c3)nc3ccccc32)cc1
InChIInChI=1S/C54H35N5/c1-2-15-39(16-3-1)59-53-28-13-8-21-48(53)56-54(59)38-33-37(34-41(35-38)58-51-26-11-6-19-44(51)45-20-7-12-27-52(45)58)47-23-14-22-46(55-47)36-29-31-40(32-30-36)57-49-24-9-4-17-42(49)43-18-5-10-25-50(43)57/h1-35H
InChIKeyMLPLPWVIZZDBMG-UHFFFAOYSA-N
XLogP13.62
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.91
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868
9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 58500911
3-[3-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 126493490
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
2-carbazol-9-yl-9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 144777561
9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 166019341
9-[3-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[3-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 159243159
9-[3-[2,4-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500891
9-[3-carbazol-9-yl-5-[3-(1-phenylbenzimidazol-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]carbazole
CID 58500843
9-[3-phenanthren-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-phenylcarbazole
CID 139500378
9-[3-carbazol-9-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole;N-[4-[3-(3-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-[3,5-di(carbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-[4-[3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 158130026

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole?
The IUPAC name of 9-[4-[6-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole (CID 58500865) is 9-[4-[6-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[6-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[6-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole is c1ccc(-n2c(-c3cc(-c4cccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cc(-n4c5ccccc5c5ccccc54)c3)nc3ccccc32)cc1.
What is the InChIKey of 9-[4-[6-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole?
The InChIKey is MLPLPWVIZZDBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N5/c1-2-15-39(16-3-1)59-53-28-13-8-21-48(53)56-54(59)38-33-37(34-41(35-38)58-51-26-11-6-19-44(51)45-20-7-12-27-52(45)58)47-23-14-22-46(55-47)36-29-31-40(32-30-36)57-49-24-9-4-17-42(49)43-18-5-10-25-50(43)57/h1-35H.
What are the key properties of 9-[4-[6-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole?
9-[4-[6-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole has a molecular weight of 753.91 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[6-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole is sourced from PubChem (CID 58500865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).