9-(3-carbazol-9-yl-5-chlorophenyl)carbazole;9-[3-carbazol-9-yl-5-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;2-phenyl-1H-benzimidazole

C86H57ClN8 — CID 161419361

IUPAC9-(3-carbazol-9-yl-5-chlorophenyl)carbazole;9-[3-carbazol-9-yl-5-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;2-phenyl-1H-benzimidazole
SMILESClc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2nc3ccccc3[nH]2)cc1.c1ccc(-c2nc3ccccc3n2-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C43H28N4.C30H19ClN2.C13H10N2/c1-2-14-29(15-3-1)43-44-37-20-8-13-25-42(37)47(43)32-27-30(45-38-21-9-4-16-33(38)34-17-5-10-22-39(34)45)26-31(28-32)46-40-23-11-6-18-35(40)36-19-7-12-24-41(36)46;31-20-17-21(32-27-13-5-1-9-23(27)24-10-2-6-14-28(24)32)19-22(18-20)33-29-15-7-3-11-25(29)26-12-4-8-16-30(26)33;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-28H;1-19H;1-9H,(H,14,15)
InChIKeyVWNDLXWDONMAND-UHFFFAOYSA-N
MW1237.91 g/mol
LogP22.65
Rot. Bonds7

About 9-(3-carbazol-9-yl-5-chlorophenyl)carbazole;9-[3-carbazol-9-yl-5-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;2-phenyl-1H-benzimidazole

9-(3-carbazol-9-yl-5-chlorophenyl)carbazole;9-[3-carbazol-9-yl-5-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;2-phenyl-1H-benzimidazole (PubChem CID 161419361) has the molecular formula C86H57ClN8 and a molecular weight of 1237.91 g/mol. Its IUPAC name is 9-(3-carbazol-9-yl-5-chlorophenyl)carbazole;9-[3-carbazol-9-yl-5-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;2-phenyl-1H-benzimidazole.

Molecular Properties

Compound Name9-(3-carbazol-9-yl-5-chlorophenyl)carbazole;9-[3-carbazol-9-yl-5-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;2-phenyl-1H-benzimidazole
PubChem CID161419361
Molecular FormulaC86H57ClN8
Molecular Weight1237.91 g/mol
Exact Mass1236.44
IUPAC Name9-(3-carbazol-9-yl-5-chlorophenyl)carbazole;9-[3-carbazol-9-yl-5-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;2-phenyl-1H-benzimidazole
SMILESClc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2nc3ccccc3[nH]2)cc1.c1ccc(-c2nc3ccccc3n2-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C43H28N4.C30H19ClN2.C13H10N2/c1-2-14-29(15-3-1)43-44-37-20-8-13-25-42(37)47(43)32-27-30(45-38-21-9-4-16-33(38)34-17-5-10-22-39(34)45)26-31(28-32)46-40-23-11-6-18-35(40)36-19-7-12-24-41(36)46;31-20-17-21(32-27-13-5-1-9-23(27)24-10-2-6-14-28(24)32)19-22(18-20)33-29-15-7-3-11-25(29)26-12-4-8-16-30(26)33;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-28H;1-19H;1-9H,(H,14,15)
InChIKeyVWNDLXWDONMAND-UHFFFAOYSA-N
XLogP22.65
TPSA66.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001237.91
LogP ≤ 522.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,2-diphenylindol-3-yl)-1H-benzimidazole
CID 20634023
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
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
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
CID 155173927
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
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
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
2-carbazol-9-yl-9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 144777561
2-[3-(1H-benzimidazol-2-yl)-5-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-1-phenylbenzimidazole
CID 58568859

Frequently Asked Questions

What is the IUPAC name of 9-(3-carbazol-9-yl-5-chlorophenyl)carbazole;9-[3-carbazol-9-yl-5-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;2-phenyl-1H-benzimidazole?
The IUPAC name of 9-(3-carbazol-9-yl-5-chlorophenyl)carbazole;9-[3-carbazol-9-yl-5-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;2-phenyl-1H-benzimidazole (CID 161419361) is 9-(3-carbazol-9-yl-5-chlorophenyl)carbazole;9-[3-carbazol-9-yl-5-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;2-phenyl-1H-benzimidazole.
What is the SMILES notation for 9-(3-carbazol-9-yl-5-chlorophenyl)carbazole;9-[3-carbazol-9-yl-5-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;2-phenyl-1H-benzimidazole?
The canonical SMILES for 9-(3-carbazol-9-yl-5-chlorophenyl)carbazole;9-[3-carbazol-9-yl-5-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;2-phenyl-1H-benzimidazole is Clc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2nc3ccccc3[nH]2)cc1.c1ccc(-c2nc3ccccc3n2-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 9-(3-carbazol-9-yl-5-chlorophenyl)carbazole;9-[3-carbazol-9-yl-5-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;2-phenyl-1H-benzimidazole?
The InChIKey is VWNDLXWDONMAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N4.C30H19ClN2.C13H10N2/c1-2-14-29(15-3-1)43-44-37-20-8-13-25-42(37)47(43)32-27-30(45-38-21-9-4-16-33(38)34-17-5-10-22-39(34)45)26-31(28-32)46-40-23-11-6-18-35(40)36-19-7-12-24-41(36)46;31-20-17-21(32-27-13-5-1-9-23(27)24-10-2-6-14-28(24)32)19-22(18-20)33-29-15-7-3-11-25(29)26-12-4-8-16-30(26)33;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-28H;1-19H;1-9H,(H,14,15).
What are the key properties of 9-(3-carbazol-9-yl-5-chlorophenyl)carbazole;9-[3-carbazol-9-yl-5-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;2-phenyl-1H-benzimidazole?
9-(3-carbazol-9-yl-5-chlorophenyl)carbazole;9-[3-carbazol-9-yl-5-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;2-phenyl-1H-benzimidazole has a molecular weight of 1237.91 g/mol, XLogP of 22.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-carbazol-9-yl-5-chlorophenyl)carbazole;9-[3-carbazol-9-yl-5-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;2-phenyl-1H-benzimidazole is sourced from PubChem (CID 161419361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).