9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole

C56H37N5 — CID 118448479

IUPAC9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
SMILESc1ccc(-n2c(-c3cccc(-c4cc(-c5cccc(-c6nc7ccccc7n6-c6ccccc6)c5)c5c(c4)c4ccccc4n5-c4ccccc4)c3)nc3ccccc32)cc1
InChIInChI=1S/C56H37N5/c1-4-22-43(23-5-1)59-51-31-13-10-28-46(51)48-37-42(38-18-16-20-40(34-38)55-57-49-29-11-14-32-52(49)60(55)44-24-6-2-7-25-44)36-47(54(48)59)39-19-17-21-41(35-39)56-58-50-30-12-15-33-53(50)61(56)45-26-8-3-9-27-45/h1-37H
InChIKeyVXMMMABATZFCQL-UHFFFAOYSA-N
MW779.95 g/mol
LogP14.13
Rot. Bonds7

About 9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole

9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole (PubChem CID 118448479) has the molecular formula C56H37N5 and a molecular weight of 779.95 g/mol. Its IUPAC name is 9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
PubChem CID118448479
Molecular FormulaC56H37N5
Molecular Weight779.95 g/mol
Exact Mass779.30
IUPAC Name9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
SMILESc1ccc(-n2c(-c3cccc(-c4cc(-c5cccc(-c6nc7ccccc7n6-c6ccccc6)c5)c5c(c4)c4ccccc4n5-c4ccccc4)c3)nc3ccccc32)cc1
InChIInChI=1S/C56H37N5/c1-4-22-43(23-5-1)59-51-31-13-10-28-46(51)48-37-42(38-18-16-20-40(34-38)55-57-49-29-11-14-32-52(49)60(55)44-24-6-2-7-25-44)36-47(54(48)59)39-19-17-21-41(35-39)56-58-50-30-12-15-33-53(50)61(56)45-26-8-3-9-27-45/h1-37H
InChIKeyVXMMMABATZFCQL-UHFFFAOYSA-N
XLogP14.13
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.95
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-[2,4-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500891
1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole
CID 160788442
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
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
9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868
9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole
CID 126503545
9-[3-(1-phenylbenzimidazol-2-yl)phenyl]-3-(2,6,8-triphenyldibenzofuran-4-yl)carbazole
CID 67818598
9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole
CID 169294130
2-carbazol-9-yl-9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 144777561
1-phenyl-2-[3-[7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-dihydrophenanthren-2-yl]phenyl]benzimidazole
CID 90075826
2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole
CID 175392622

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The IUPAC name of 9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole (CID 118448479) is 9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The canonical SMILES for 9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole is c1ccc(-n2c(-c3cccc(-c4cc(-c5cccc(-c6nc7ccccc7n6-c6ccccc6)c5)c5c(c4)c4ccccc4n5-c4ccccc4)c3)nc3ccccc32)cc1.
What is the InChIKey of 9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The InChIKey is VXMMMABATZFCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N5/c1-4-22-43(23-5-1)59-51-31-13-10-28-46(51)48-37-42(38-18-16-20-40(34-38)55-57-49-29-11-14-32-52(49)60(55)44-24-6-2-7-25-44)36-47(54(48)59)39-19-17-21-41(35-39)56-58-50-30-12-15-33-53(50)61(56)45-26-8-3-9-27-45/h1-37H.
What are the key properties of 9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole has a molecular weight of 779.95 g/mol, XLogP of 14.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole is sourced from PubChem (CID 118448479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).