1-N-(4-phenylphenyl)-1-N-pyrazin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine

C40H38N4 — CID 177074297

IUPAC1-N-(4-phenylphenyl)-1-N-pyrazin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine
SMILESCc1cc(C)c(N(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cnccn3)cc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C40H38N4/c1-27-22-29(3)39(30(4)23-27)44(40-31(5)24-28(2)25-32(40)6)37-18-16-36(17-19-37)43(38-26-41-20-21-42-38)35-14-12-34(13-15-35)33-10-8-7-9-11-33/h7-26H,1-6H3
InChIKeyZYVFDVGLVCTICM-UHFFFAOYSA-N
MW574.77 g/mol
LogP10.93
Rot. Bonds7

About 1-N-(4-phenylphenyl)-1-N-pyrazin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine

1-N-(4-phenylphenyl)-1-N-pyrazin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine (PubChem CID 177074297) has the molecular formula C40H38N4 and a molecular weight of 574.77 g/mol. Its IUPAC name is 1-N-(4-phenylphenyl)-1-N-pyrazin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-phenylphenyl)-1-N-pyrazin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine
PubChem CID177074297
Molecular FormulaC40H38N4
Molecular Weight574.77 g/mol
Exact Mass574.31
IUPAC Name1-N-(4-phenylphenyl)-1-N-pyrazin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine
SMILESCc1cc(C)c(N(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cnccn3)cc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C40H38N4/c1-27-22-29(3)39(30(4)23-27)44(40-31(5)24-28(2)25-32(40)6)37-18-16-36(17-19-37)43(38-26-41-20-21-42-38)35-14-12-34(13-15-35)33-10-8-7-9-11-33/h7-26H,1-6H3
InChIKeyZYVFDVGLVCTICM-UHFFFAOYSA-N
XLogP10.93
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.77
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N-dipyridin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine
CID 177074307
5-methyl-1-N,3-N-bis(4-phenylphenyl)-1-N,3-N-bis(2,4,6-trimethylphenyl)benzene-1,3-diamine
CID 118415243
3-N-phenyl-1-N,1-N,3-N,6-N,6-N,8-N,8-N-hepta(pyrazin-2-yl)pyrene-1,3,6,8-tetramine
CID 176881463
2,4,6-trimethyl-N-(4-methylphenyl)-N-[4-[4-[4-[4-[4-[4-[4-[4-(4-methyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]-N-(2,4,6-trimethylphenyl)anilino]phenyl]-N-(2,4,6-trimethylphenyl)anilino]phenyl]-N-(2,4,6-trimethylphenyl)anilino]phenyl]phenyl]aniline
CID 90265211
1-N-[4-phenyl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-1-N-pyrimidin-4-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine
CID 177073691
N,2,4,6-tetramethyl-N-(4-phenylphenyl)aniline
CID 145100467
4-N-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-N-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-N,1-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine
CID 177073889
4-N-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine
CID 177074330
4-N,4-N-bis(3,5-dimethylphenyl)-1-N-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)phenyl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 22964147
4-(N-pyrazin-2-ylanilino)benzamide
CID 142741849
1-N-(4-methylphenyl)-4-N-[4-(4-methyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]-1-N-[4-[N-(2,4,6-trimethylphenyl)-4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)anilino]phenyl]-4-N-[4-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)-N-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]anilino]phenyl]benzene-1,4-diamine
CID 59426653
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-phenylphenyl)-1-N-pyrazin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N-(4-phenylphenyl)-1-N-pyrazin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine (CID 177074297) is 1-N-(4-phenylphenyl)-1-N-pyrazin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-(4-phenylphenyl)-1-N-pyrazin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-(4-phenylphenyl)-1-N-pyrazin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine is Cc1cc(C)c(N(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cnccn3)cc2)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 1-N-(4-phenylphenyl)-1-N-pyrazin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine?
The InChIKey is ZYVFDVGLVCTICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38N4/c1-27-22-29(3)39(30(4)23-27)44(40-31(5)24-28(2)25-32(40)6)37-18-16-36(17-19-37)43(38-26-41-20-21-42-38)35-14-12-34(13-15-35)33-10-8-7-9-11-33/h7-26H,1-6H3.
What are the key properties of 1-N-(4-phenylphenyl)-1-N-pyrazin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine?
1-N-(4-phenylphenyl)-1-N-pyrazin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine has a molecular weight of 574.77 g/mol, XLogP of 10.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-phenylphenyl)-1-N-pyrazin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 177074297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).