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

C40H54N2 — CID 91310242

IUPACethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
SMILESCC.CC.CC.CC.CC.c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C30H24N2.5C2H6/c1-5-13-25(14-6-1)31(26-15-7-2-8-16-26)29-21-23-30(24-22-29)32(27-17-9-3-10-18-27)28-19-11-4-12-20-28;5*1-2/h1-24H;5*1-2H3
InChIKeyAKCONRTVCGOMRO-UHFFFAOYSA-N
MW562.89 g/mol
LogP13.76
Rot. Bonds6

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

ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine (PubChem CID 91310242) has the molecular formula C40H54N2 and a molecular weight of 562.89 g/mol. Its IUPAC name is ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine.

Molecular Properties

Compound Nameethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
PubChem CID91310242
Molecular FormulaC40H54N2
Molecular Weight562.89 g/mol
Exact Mass562.43
IUPAC Nameethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
SMILESCC.CC.CC.CC.CC.c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C30H24N2.5C2H6/c1-5-13-25(14-6-1)31(26-15-7-2-8-16-26)29-21-23-30(24-22-29)32(27-17-9-3-10-18-27)28-19-11-4-12-20-28;5*1-2/h1-24H;5*1-2H3
InChIKeyAKCONRTVCGOMRO-UHFFFAOYSA-N
XLogP13.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.89
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-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-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 143515973
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
N,N-diphenylaniline;silane
CID 131739129
4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;ethane
CID 145125987
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
N,N-diphenylaniline;ethene
CID 135186601
acetylene;N,N-diphenylaniline
CID 162160270
azane;N,N-diphenylaniline;methane
CID 174725062
ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 91177685
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544

Frequently Asked Questions

What is the IUPAC name of ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine?
The IUPAC name of ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine (CID 91310242) is ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine.
What is the SMILES notation for ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine?
The canonical SMILES for ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine is CC.CC.CC.CC.CC.c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine?
The InChIKey is AKCONRTVCGOMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2.5C2H6/c1-5-13-25(14-6-1)31(26-15-7-2-8-16-26)29-21-23-30(24-22-29)32(27-17-9-3-10-18-27)28-19-11-4-12-20-28;5*1-2/h1-24H;5*1-2H3.
What are the key properties of ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine?
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine has a molecular weight of 562.89 g/mol, XLogP of 13.76, 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-tetraphenylbenzene-1,4-diamine is sourced from PubChem (CID 91310242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).