N-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine

C50H33N7 — CID 155430382

IUPACN-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-n4c5ccccc5n5c6ccccc6nc45)c3)c3ccc4c(c3)n3c5ccccc5nc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C50H33N7/c1-3-14-34(15-4-1)35-26-28-37(29-27-35)53(38-18-13-19-39(32-38)55-45-24-11-12-25-46(45)56-43-22-9-7-20-41(43)52-50(55)56)40-30-31-47-48(33-40)57-44-23-10-8-21-42(44)51-49(57)54(47)36-16-5-2-6-17-36/h1-33H
InChIKeyAOZVJUZPNMBMEJ-UHFFFAOYSA-N
MW731.86 g/mol
LogP12.31
Rot. Bonds6

About N-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine

N-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine (PubChem CID 155430382) has the molecular formula C50H33N7 and a molecular weight of 731.86 g/mol. Its IUPAC name is N-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound NameN-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
PubChem CID155430382
Molecular FormulaC50H33N7
Molecular Weight731.86 g/mol
Exact Mass731.28
IUPAC NameN-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-n4c5ccccc5n5c6ccccc6nc45)c3)c3ccc4c(c3)n3c5ccccc5nc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C50H33N7/c1-3-14-34(15-4-1)35-26-28-37(29-27-35)53(38-18-13-19-39(32-38)55-45-24-11-12-25-46(45)56-43-22-9-7-20-41(43)52-50(55)56)40-30-31-47-48(33-40)57-44-23-10-8-21-42(44)51-49(57)54(47)36-16-5-2-6-17-36/h1-33H
InChIKeyAOZVJUZPNMBMEJ-UHFFFAOYSA-N
XLogP12.31
TPSA47.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.86
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
2-N,9-N,5-triphenyl-2-N,9-N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole-2,9-diamine
CID 155766540
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 139480020
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139480243
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
5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155766484
4-[3-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)phenyl]-N,N-diphenylaniline;17-phenyl-4-(1-phenylbenzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene;17-phenyl-4-(2-phenylbenzimidazol-1-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 159021039
2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-[3-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-phenyl-2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;9-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 159288172
5-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 139482529
5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine?
The IUPAC name of N-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine (CID 155430382) is N-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for N-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine?
The canonical SMILES for N-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine is c1ccc(-c2ccc(N(c3cccc(-n4c5ccccc5n5c6ccccc6nc45)c3)c3ccc4c(c3)n3c5ccccc5nc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine?
The InChIKey is AOZVJUZPNMBMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N7/c1-3-14-34(15-4-1)35-26-28-37(29-27-35)53(38-18-13-19-39(32-38)55-45-24-11-12-25-46(45)56-43-22-9-7-20-41(43)52-50(55)56)40-30-31-47-48(33-40)57-44-23-10-8-21-42(44)51-49(57)54(47)36-16-5-2-6-17-36/h1-33H.
What are the key properties of N-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine?
N-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine has a molecular weight of 731.86 g/mol, XLogP of 12.31, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 155430382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).