9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole

C55H37N3 — CID 58470934

IUPAC9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
SMILESc1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cc6)cc5)cc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C55H37N3/c1-2-10-47(11-3-1)58-54-17-9-6-14-51(54)56-55(58)46-32-30-44(31-33-46)42-24-22-40(23-25-42)38-18-20-39(21-19-38)41-26-28-43(29-27-41)45-34-36-48(37-35-45)57-52-15-7-4-12-49(52)50-13-5-8-16-53(50)57/h1-37H
InChIKeyXNPOPCMMGFSWKH-UHFFFAOYSA-N
MW739.92 g/mol
LogP14.46
Rot. Bonds7

About 9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole

9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole (PubChem CID 58470934) has the molecular formula C55H37N3 and a molecular weight of 739.92 g/mol. Its IUPAC name is 9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
PubChem CID58470934
Molecular FormulaC55H37N3
Molecular Weight739.92 g/mol
Exact Mass739.30
IUPAC Name9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
SMILESc1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cc6)cc5)cc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C55H37N3/c1-2-10-47(11-3-1)58-54-17-9-6-14-51(54)56-55(58)46-32-30-44(31-33-46)42-24-22-40(23-25-42)38-18-20-39(21-19-38)41-26-28-43(29-27-41)45-34-36-48(37-35-45)57-52-15-7-4-12-49(52)50-13-5-8-16-53(50)57/h1-37H
InChIKeyXNPOPCMMGFSWKH-UHFFFAOYSA-N
XLogP14.46
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole
CID 90324561
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
4-bromo-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118034815
2-[4-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]-1-phenylbenzimidazole
CID 58489476
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118149535
2-carbazol-9-yl-9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 144777561
9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole
CID 169294130
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
9-[4-[6-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
CID 58500865

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole (CID 58470934) is 9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole is c1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cc6)cc5)cc4)cc3)nc3ccccc32)cc1.
What is the InChIKey of 9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole?
The InChIKey is XNPOPCMMGFSWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3/c1-2-10-47(11-3-1)58-54-17-9-6-14-51(54)56-55(58)46-32-30-44(31-33-46)42-24-22-40(23-25-42)38-18-20-39(21-19-38)41-26-28-43(29-27-41)45-34-36-48(37-35-45)57-52-15-7-4-12-49(52)50-13-5-8-16-53(50)57/h1-37H.
What are the key properties of 9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole?
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole has a molecular weight of 739.92 g/mol, XLogP of 14.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 58470934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).