4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine

C92H66N8 — CID 58028604

IUPAC4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C92H66N8/c1-9-25-69(26-10-1)87-65-89(95-91(93-87)73-29-13-3-14-30-73)71-45-53-81(54-46-71)99(85-61-57-83(58-62-85)97(75-33-17-5-18-34-75)76-35-19-6-20-36-76)79-49-41-67(42-50-79)68-43-51-80(52-44-68)100(86-63-59-84(60-64-86)98(77-37-21-7-22-38-77)78-39-23-8-24-40-78)82-55-47-72(48-56-82)90-66-88(70-27-11-2-12-28-70)94-92(96-90)74-31-15-4-16-32-74/h1-66H
InChIKeyDQYSWRPBVBBIMX-UHFFFAOYSA-N
MW1283.60 g/mol
LogP24.81
Rot. Bonds19

About 4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine

4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine (PubChem CID 58028604) has the molecular formula C92H66N8 and a molecular weight of 1283.60 g/mol. Its IUPAC name is 4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
PubChem CID58028604
Molecular FormulaC92H66N8
Molecular Weight1283.60 g/mol
Exact Mass1282.54
IUPAC Name4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C92H66N8/c1-9-25-69(26-10-1)87-65-89(95-91(93-87)73-29-13-3-14-30-73)71-45-53-81(54-46-71)99(85-61-57-83(58-62-85)97(75-33-17-5-18-34-75)76-35-19-6-20-36-76)79-49-41-67(42-50-79)68-43-51-80(52-44-68)100(86-63-59-84(60-64-86)98(77-37-21-7-22-38-77)78-39-23-8-24-40-78)82-55-47-72(48-56-82)90-66-88(70-27-11-2-12-28-70)94-92(96-90)74-31-15-4-16-32-74/h1-66H
InChIKeyDQYSWRPBVBBIMX-UHFFFAOYSA-N
XLogP24.81
TPSA64.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001283.60
LogP ≤ 524.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline
CID 59779628
N-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 58028686
N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 58028667
N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 58028600
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline
CID 130353169
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
N-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 58028726
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
7-(2,6-diphenylpyrimidin-4-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095426
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine (CID 58028604) is 4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine is c1ccc(-c2cc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine?
The InChIKey is DQYSWRPBVBBIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H66N8/c1-9-25-69(26-10-1)87-65-89(95-91(93-87)73-29-13-3-14-30-73)71-45-53-81(54-46-71)99(85-61-57-83(58-62-85)97(75-33-17-5-18-34-75)76-35-19-6-20-36-76)79-49-41-67(42-50-79)68-43-51-80(52-44-68)100(86-63-59-84(60-64-86)98(77-37-21-7-22-38-77)78-39-23-8-24-40-78)82-55-47-72(48-56-82)90-66-88(70-27-11-2-12-28-70)94-92(96-90)74-31-15-4-16-32-74/h1-66H.
What are the key properties of 4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine?
4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine has a molecular weight of 1283.60 g/mol, XLogP of 24.81, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 58028604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).