ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine

C40H50N2 — CID 145303596

IUPACethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
SMILESCC.CC.CC.Cc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C34H32N2.3C2H6/c1-25-5-13-29(14-6-25)35(30-15-7-26(2)8-16-30)33-21-23-34(24-22-33)36(31-17-9-27(3)10-18-31)32-19-11-28(4)12-20-32;3*1-2/h5-24H,1-4H3;3*1-2H3
InChIKeyRXWBKVMFRDGFPX-UHFFFAOYSA-N
MW558.85 g/mol
LogP12.94
Rot. Bonds6

About ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine

ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine (PubChem CID 145303596) has the molecular formula C40H50N2 and a molecular weight of 558.85 g/mol. Its IUPAC name is ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Nameethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
PubChem CID145303596
Molecular FormulaC40H50N2
Molecular Weight558.85 g/mol
Exact Mass558.40
IUPAC Nameethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
SMILESCC.CC.CC.Cc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C34H32N2.3C2H6/c1-25-5-13-29(14-6-25)35(30-15-7-26(2)8-16-30)33-21-23-34(24-22-33)36(31-17-9-27(3)10-18-31)32-19-11-28(4)12-20-32;3*1-2/h5-24H,1-4H3;3*1-2H3
InChIKeyRXWBKVMFRDGFPX-UHFFFAOYSA-N
XLogP12.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.85
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-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

ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline
CID 143762169
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606
4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;bis(4-methylaniline)
CID 142830870
N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane
CID 143481987
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588

Frequently Asked Questions

What is the IUPAC name of ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine?
The IUPAC name of ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine (CID 145303596) is ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine.
What is the SMILES notation for ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine?
The canonical SMILES for ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine is CC.CC.CC.Cc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine?
The InChIKey is RXWBKVMFRDGFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2.3C2H6/c1-25-5-13-29(14-6-25)35(30-15-7-26(2)8-16-30)33-21-23-34(24-22-33)36(31-17-9-27(3)10-18-31)32-19-11-28(4)12-20-32;3*1-2/h5-24H,1-4H3;3*1-2H3.
What are the key properties of ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine?
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine has a molecular weight of 558.85 g/mol, XLogP of 12.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 145303596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).