5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine

C55H37N5 — CID 155766484

IUPAC5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)n3c5ccccc5nc3n4-c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C55H37N5/c1-4-15-38(16-5-1)40-27-31-43(32-28-40)57(44-33-29-41(30-34-44)39-17-6-2-7-18-39)45-35-36-51-53(37-45)59-50-25-13-11-23-48(50)56-55(59)60(51)52-26-14-22-47-46-21-10-12-24-49(46)58(54(47)52)42-19-8-3-9-20-42/h1-37H
InChIKeyVWOTVBLZIUEJAY-UHFFFAOYSA-N
MW767.94 g/mol
LogP14.33
Rot. Bonds7

About 5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine

5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine (PubChem CID 155766484) has the molecular formula C55H37N5 and a molecular weight of 767.94 g/mol. Its IUPAC name is 5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound Name5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
PubChem CID155766484
Molecular FormulaC55H37N5
Molecular Weight767.94 g/mol
Exact Mass767.30
IUPAC Name5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)n3c5ccccc5nc3n4-c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C55H37N5/c1-4-15-38(16-5-1)40-27-31-43(32-28-40)57(44-33-29-41(30-34-44)39-17-6-2-7-18-39)45-35-36-51-53(37-45)59-50-25-13-11-23-48(50)56-55(59)60(51)52-26-14-22-47-46-21-10-12-24-49(46)58(54(47)52)42-19-8-3-9-20-42/h1-37H
InChIKeyVWOTVBLZIUEJAY-UHFFFAOYSA-N
XLogP14.33
TPSA30.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.94
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-bis(4-phenylphenyl)-N-[5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazol-2-amine
CID 139482162
N-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155430382
2-N,9-N,5-triphenyl-2-N,9-N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole-2,9-diamine
CID 155766540
1-N,3-N-diphenyl-5-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 139482169
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139480243
N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155766482
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 139480020
5-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 139482529
9,9-dimethyl-N-[4-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155766506
11-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaen-6-amine
CID 154646652
N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
CID 118963227
N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzimidazolo[1,2-a]benzimidazol-2-amine;9,9-dimethyl-N-[4-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 161301508

Frequently Asked Questions

What is the IUPAC name of 5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine?
The IUPAC name of 5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine (CID 155766484) is 5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for 5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine?
The canonical SMILES for 5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)n3c5ccccc5nc3n4-c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1.
What is the InChIKey of 5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine?
The InChIKey is VWOTVBLZIUEJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N5/c1-4-15-38(16-5-1)40-27-31-43(32-28-40)57(44-33-29-41(30-34-44)39-17-6-2-7-18-39)45-35-36-51-53(37-45)59-50-25-13-11-23-48(50)56-55(59)60(51)52-26-14-22-47-46-21-10-12-24-49(46)58(54(47)52)42-19-8-3-9-20-42/h1-37H.
What are the key properties of 5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine?
5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine has a molecular weight of 767.94 g/mol, XLogP of 14.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 155766484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).