2-N-[2,6-di(propan-2-yl)phenyl]-1-N-(2-phenylsulfanylphenyl)benzene-1,2-diamine

C30H32N2S — CID 141233352

IUPAC2-N-[2,6-di(propan-2-yl)phenyl]-1-N-(2-phenylsulfanylphenyl)benzene-1,2-diamine
SMILESCC(C)c1cccc(C(C)C)c1Nc1ccccc1Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C30H32N2S/c1-21(2)24-15-12-16-25(22(3)4)30(24)32-27-18-9-8-17-26(27)31-28-19-10-11-20-29(28)33-23-13-6-5-7-14-23/h5-22,31-32H,1-4H3
InChIKeyCCNGRYAZKZSYIU-UHFFFAOYSA-N
MW452.67 g/mol
LogP9.57
Rot. Bonds8

About 2-N-[2,6-di(propan-2-yl)phenyl]-1-N-(2-phenylsulfanylphenyl)benzene-1,2-diamine

2-N-[2,6-di(propan-2-yl)phenyl]-1-N-(2-phenylsulfanylphenyl)benzene-1,2-diamine (PubChem CID 141233352) has the molecular formula C30H32N2S and a molecular weight of 452.67 g/mol. Its IUPAC name is 2-N-[2,6-di(propan-2-yl)phenyl]-1-N-(2-phenylsulfanylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[2,6-di(propan-2-yl)phenyl]-1-N-(2-phenylsulfanylphenyl)benzene-1,2-diamine
PubChem CID141233352
Molecular FormulaC30H32N2S
Molecular Weight452.67 g/mol
Exact Mass452.23
IUPAC Name2-N-[2,6-di(propan-2-yl)phenyl]-1-N-(2-phenylsulfanylphenyl)benzene-1,2-diamine
SMILESCC(C)c1cccc(C(C)C)c1Nc1ccccc1Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C30H32N2S/c1-21(2)24-15-12-16-25(22(3)4)30(24)32-27-18-9-8-17-26(27)31-28-19-10-11-20-29(28)33-23-13-6-5-7-14-23/h5-22,31-32H,1-4H3
InChIKeyCCNGRYAZKZSYIU-UHFFFAOYSA-N
XLogP9.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.67
LogP ≤ 59.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphosphanylphenyl)-2,6-di(propan-2-yl)aniline
CID 58961695
N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline
CID 87946949
1-N,2-N-di(butan-2-yl)-3-phenylsulfanylbenzene-1,2-diamine
CID 54436362
2-bromo-3-methyl-N-[2-(4-methylphenyl)sulfanylphenyl]aniline
CID 164683323
1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine
CID 141333643
1-N,4-N-diphenyl-2-phenylsulfanylbenzene-1,4-diamine
CID 12035327
1-N,2-N-di(pentan-2-yl)-3-phenylsulfanylbenzene-1,2-diamine
CID 54187382
2-(2-methylphenyl)sulfanyl-N-phenylaniline
CID 145291254
3-amino-4-(2-phenylsulfanylanilino)benzonitrile
CID 100656068
(2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide
CID 61254196
N-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine
CID 43286135
1-(2,6-diethylphenyl)-3-(2-phenylsulfanylphenyl)thiourea
CID 23935734

Frequently Asked Questions

What is the IUPAC name of 2-N-[2,6-di(propan-2-yl)phenyl]-1-N-(2-phenylsulfanylphenyl)benzene-1,2-diamine?
The IUPAC name of 2-N-[2,6-di(propan-2-yl)phenyl]-1-N-(2-phenylsulfanylphenyl)benzene-1,2-diamine (CID 141233352) is 2-N-[2,6-di(propan-2-yl)phenyl]-1-N-(2-phenylsulfanylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-[2,6-di(propan-2-yl)phenyl]-1-N-(2-phenylsulfanylphenyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-[2,6-di(propan-2-yl)phenyl]-1-N-(2-phenylsulfanylphenyl)benzene-1,2-diamine is CC(C)c1cccc(C(C)C)c1Nc1ccccc1Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-N-[2,6-di(propan-2-yl)phenyl]-1-N-(2-phenylsulfanylphenyl)benzene-1,2-diamine?
The InChIKey is CCNGRYAZKZSYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2S/c1-21(2)24-15-12-16-25(22(3)4)30(24)32-27-18-9-8-17-26(27)31-28-19-10-11-20-29(28)33-23-13-6-5-7-14-23/h5-22,31-32H,1-4H3.
What are the key properties of 2-N-[2,6-di(propan-2-yl)phenyl]-1-N-(2-phenylsulfanylphenyl)benzene-1,2-diamine?
2-N-[2,6-di(propan-2-yl)phenyl]-1-N-(2-phenylsulfanylphenyl)benzene-1,2-diamine has a molecular weight of 452.67 g/mol, XLogP of 9.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2,6-di(propan-2-yl)phenyl]-1-N-(2-phenylsulfanylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 141233352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).