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

C62H41N7 — CID 139482162

IUPACN,5-bis(4-phenylphenyl)-N-[5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)n3c5ccccc5nc3n4-c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)n3c5ccccc5nc3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C62H41N7/c1-4-14-42(15-5-1)45-24-30-48(31-25-45)65(51-36-38-57-59(40-51)68-55-22-12-10-20-53(55)63-61(68)66(57)49-32-26-46(27-33-49)43-16-6-2-7-17-43)52-37-39-58-60(41-52)69-56-23-13-11-21-54(56)64-62(69)67(58)50-34-28-47(29-35-50)44-18-8-3-9-19-44/h1-41H
InChIKeyCKOQKCWLGTUZRG-UHFFFAOYSA-N
MW884.06 g/mol
LogP15.65
Rot. Bonds8

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

N,5-bis(4-phenylphenyl)-N-[5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazol-2-amine (PubChem CID 139482162) has the molecular formula C62H41N7 and a molecular weight of 884.06 g/mol. Its IUPAC name is N,5-bis(4-phenylphenyl)-N-[5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound NameN,5-bis(4-phenylphenyl)-N-[5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazol-2-amine
PubChem CID139482162
Molecular FormulaC62H41N7
Molecular Weight884.06 g/mol
Exact Mass883.34
IUPAC NameN,5-bis(4-phenylphenyl)-N-[5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)n3c5ccccc5nc3n4-c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)n3c5ccccc5nc3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C62H41N7/c1-4-14-42(15-5-1)45-24-30-48(31-25-45)65(51-36-38-57-59(40-51)68-55-22-12-10-20-53(55)63-61(68)66(57)49-32-26-46(27-33-49)43-16-6-2-7-17-43)52-37-39-58-60(41-52)69-56-23-13-11-21-54(56)64-62(69)67(58)50-34-28-47(29-35-50)44-18-8-3-9-19-44/h1-41H
InChIKeyCKOQKCWLGTUZRG-UHFFFAOYSA-N
XLogP15.65
TPSA47.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.06
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139480243
N-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155430382
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 139480020
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
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-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 139482529
5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155766484
5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 139479683
N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155766482

Frequently Asked Questions

What is the IUPAC name of N,5-bis(4-phenylphenyl)-N-[5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazol-2-amine?
The IUPAC name of 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) is N,5-bis(4-phenylphenyl)-N-[5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for N,5-bis(4-phenylphenyl)-N-[5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazol-2-amine?
The canonical SMILES for N,5-bis(4-phenylphenyl)-N-[5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazol-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)n3c5ccccc5nc3n4-c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)n3c5ccccc5nc3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N,5-bis(4-phenylphenyl)-N-[5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazol-2-amine?
The InChIKey is CKOQKCWLGTUZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N7/c1-4-14-42(15-5-1)45-24-30-48(31-25-45)65(51-36-38-57-59(40-51)68-55-22-12-10-20-53(55)63-61(68)66(57)49-32-26-46(27-33-49)43-16-6-2-7-17-43)52-37-39-58-60(41-52)69-56-23-13-11-21-54(56)64-62(69)67(58)50-34-28-47(29-35-50)44-18-8-3-9-19-44/h1-41H.
What are the key properties of N,5-bis(4-phenylphenyl)-N-[5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazol-2-amine?
N,5-bis(4-phenylphenyl)-N-[5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazol-2-amine has a molecular weight of 884.06 g/mol, XLogP of 15.65, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(4-phenylphenyl)-N-[5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 139482162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).