N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

C67H47N3 — CID 122425006

IUPACN-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc(-c6cccc7c6nc(-c6ccccc6)n7-c6ccccc6)c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C67H47N3/c1-5-15-48(16-6-1)50-27-31-52(32-28-50)54-35-41-61(42-36-54)69(62-43-37-55(38-44-62)53-33-29-51(30-34-53)49-17-7-2-8-18-49)63-45-39-56(40-46-63)58-21-13-22-59(47-58)64-25-14-26-65-66(64)68-67(57-19-9-3-10-20-57)70(65)60-23-11-4-12-24-60/h1-47H
InChIKeyTXPWPKVPCKXONR-UHFFFAOYSA-N
MW894.13 g/mol
LogP18.16
Rot. Bonds11

About N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 122425006) has the molecular formula C67H47N3 and a molecular weight of 894.13 g/mol. Its IUPAC name is N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID122425006
Molecular FormulaC67H47N3
Molecular Weight894.13 g/mol
Exact Mass893.38
IUPAC NameN-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc(-c6cccc7c6nc(-c6ccccc6)n7-c6ccccc6)c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C67H47N3/c1-5-15-48(16-6-1)50-27-31-52(32-28-50)54-35-41-61(42-36-54)69(62-43-37-55(38-44-62)53-33-29-51(30-34-53)49-17-7-2-8-18-49)63-45-39-56(40-46-63)58-21-13-22-59(47-58)64-25-14-26-65-66(64)68-67(57-19-9-3-10-20-57)70(65)60-23-11-4-12-24-60/h1-47H
InChIKeyTXPWPKVPCKXONR-UHFFFAOYSA-N
XLogP18.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.13
LogP ≤ 518.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 122424896
N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(2,3-diphenylbenzimidazol-5-yl)phenyl]phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;3,5-diphenyl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 161042389
N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-phenanthren-9-yl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]phenanthren-9-amine
CID 159583043
N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]aniline
CID 121337566
4-(N-phenylanilino)-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
CID 140906004
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118901515
4-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylbenzo[e]benzimidazol-2-yl)phenyl]aniline
CID 163469536
4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 154031427
N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine
CID 122424886
N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 122424952
N-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166889866
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660208

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 122425006) is N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc(-c6cccc7c6nc(-c6ccccc6)n7-c6ccccc6)c5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is TXPWPKVPCKXONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H47N3/c1-5-15-48(16-6-1)50-27-31-52(32-28-50)54-35-41-61(42-36-54)69(62-43-37-55(38-44-62)53-33-29-51(30-34-53)49-17-7-2-8-18-49)63-45-39-56(40-46-63)58-21-13-22-59(47-58)64-25-14-26-65-66(64)68-67(57-19-9-3-10-20-57)70(65)60-23-11-4-12-24-60/h1-47H.
What are the key properties of N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 894.13 g/mol, XLogP of 18.16, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 122425006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).