ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine

C30H38N2 — CID 91177685

IUPACethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine
SMILESCC.CC.CC.c1ccc(Nc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H20N2.3C2H6/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;3*1-2/h1-19,25H;3*1-2H3
InChIKeyCCPLTKWPSALHDL-UHFFFAOYSA-N
MW426.65 g/mol
LogP9.98
Rot. Bonds5

About ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine

ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine (PubChem CID 91177685) has the molecular formula C30H38N2 and a molecular weight of 426.65 g/mol. Its IUPAC name is ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine.

Molecular Properties

Compound Nameethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine
PubChem CID91177685
Molecular FormulaC30H38N2
Molecular Weight426.65 g/mol
Exact Mass426.30
IUPAC Nameethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine
SMILESCC.CC.CC.c1ccc(Nc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H20N2.3C2H6/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;3*1-2/h1-19,25H;3*1-2H3
InChIKeyCCPLTKWPSALHDL-UHFFFAOYSA-N
XLogP9.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.65
LogP ≤ 59.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;1-N,4-N,4-N-triphenylbenzene-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

4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;ethane
CID 145125987
4-N-[4-(4-anilinophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 127255463
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
4-N,4-N-diphenyl-1-N-[4-[[4-[4-[[4-(N-phenylanilino)phenyl]methyl]anilino]phenyl]methyl]phenyl]benzene-1,4-diamine
CID 162039964
1-N-(3-methylphenyl)-4-N-[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 142252530
N-phenyl-4-[(E)-[(E)-[4-(N-phenylanilino)phenyl]methylidenehydrazinylidene]methyl]aniline
CID 154979781
N-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline
CID 11235664
4-methyl-N-phenylaniline;[4-(N-phenylanilino)phenyl]boronic acid;N-phenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 159104775
N-[4-(4-anilinophenyl)phenyl]-N-phenylnaphthalen-2-amine
CID 22389712
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 143515973
4-(4-anilinophenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 69462597
1-N-phenyl-4-N,4-N-dipropylbenzene-1,4-diamine
CID 18669796

Frequently Asked Questions

What is the IUPAC name of ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine?
The IUPAC name of ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine (CID 91177685) is ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine.
What is the SMILES notation for ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine?
The canonical SMILES for ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine is CC.CC.CC.c1ccc(Nc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine?
The InChIKey is CCPLTKWPSALHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2.3C2H6/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;3*1-2/h1-19,25H;3*1-2H3.
What are the key properties of ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine?
ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine has a molecular weight of 426.65 g/mol, XLogP of 9.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine is sourced from PubChem (CID 91177685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).