2-N,9-N,5-triphenyl-2-N,9-N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole-2,9-diamine

C55H39N5 — CID 155766540

IUPAC2-N,9-N,5-triphenyl-2-N,9-N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole-2,9-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4nc5n(-c6ccccc6)c6ccc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)cc6n5c4c3)cc2)cc1
InChIInChI=1S/C55H39N5/c1-6-16-40(17-7-1)42-26-30-47(31-27-42)57(44-20-10-3-11-21-44)49-34-36-51-53(38-49)60-54-39-50(35-37-52(54)59(55(60)56-51)46-24-14-5-15-25-46)58(45-22-12-4-13-23-45)48-32-28-43(29-33-48)41-18-8-2-9-19-41/h1-39H
InChIKeyNHVAVKWFBYEJFV-UHFFFAOYSA-N
MW769.95 g/mol
LogP14.70
Rot. Bonds9

About 2-N,9-N,5-triphenyl-2-N,9-N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole-2,9-diamine

2-N,9-N,5-triphenyl-2-N,9-N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole-2,9-diamine (PubChem CID 155766540) has the molecular formula C55H39N5 and a molecular weight of 769.95 g/mol. Its IUPAC name is 2-N,9-N,5-triphenyl-2-N,9-N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole-2,9-diamine.

Molecular Properties

Compound Name2-N,9-N,5-triphenyl-2-N,9-N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole-2,9-diamine
PubChem CID155766540
Molecular FormulaC55H39N5
Molecular Weight769.95 g/mol
Exact Mass769.32
IUPAC Name2-N,9-N,5-triphenyl-2-N,9-N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole-2,9-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4nc5n(-c6ccccc6)c6ccc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)cc6n5c4c3)cc2)cc1
InChIInChI=1S/C55H39N5/c1-6-16-40(17-7-1)42-26-30-47(31-27-42)57(44-20-10-3-11-21-44)49-34-36-51-53(38-49)60-54-39-50(35-37-52(54)59(55(60)56-51)46-24-14-5-15-25-46)58(45-22-12-4-13-23-45)48-32-28-43(29-33-48)41-18-8-2-9-19-41/h1-39H
InChIKeyNHVAVKWFBYEJFV-UHFFFAOYSA-N
XLogP14.70
TPSA28.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.95
LogP ≤ 514.70
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
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-[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
5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155766484
5-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 139482529
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-[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-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155766508
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
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 139479683

Frequently Asked Questions

What is the IUPAC name of 2-N,9-N,5-triphenyl-2-N,9-N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole-2,9-diamine?
The IUPAC name of 2-N,9-N,5-triphenyl-2-N,9-N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole-2,9-diamine (CID 155766540) is 2-N,9-N,5-triphenyl-2-N,9-N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole-2,9-diamine.
What is the SMILES notation for 2-N,9-N,5-triphenyl-2-N,9-N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole-2,9-diamine?
The canonical SMILES for 2-N,9-N,5-triphenyl-2-N,9-N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole-2,9-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4nc5n(-c6ccccc6)c6ccc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)cc6n5c4c3)cc2)cc1.
What is the InChIKey of 2-N,9-N,5-triphenyl-2-N,9-N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole-2,9-diamine?
The InChIKey is NHVAVKWFBYEJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N5/c1-6-16-40(17-7-1)42-26-30-47(31-27-42)57(44-20-10-3-11-21-44)49-34-36-51-53(38-49)60-54-39-50(35-37-52(54)59(55(60)56-51)46-24-14-5-15-25-46)58(45-22-12-4-13-23-45)48-32-28-43(29-33-48)41-18-8-2-9-19-41/h1-39H.
What are the key properties of 2-N,9-N,5-triphenyl-2-N,9-N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole-2,9-diamine?
2-N,9-N,5-triphenyl-2-N,9-N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole-2,9-diamine has a molecular weight of 769.95 g/mol, XLogP of 14.70, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,9-N,5-triphenyl-2-N,9-N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole-2,9-diamine is sourced from PubChem (CID 155766540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).