1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-(4-methylphenyl)-4-N,4-N-diphenylbenzene-1,4-diamine

C32H30N2 — CID 143286493

IUPAC1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-(4-methylphenyl)-4-N,4-N-diphenylbenzene-1,4-diamine
SMILESCC1=CCC(N(c2ccc(C)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)C=C1
InChIInChI=1S/C32H30N2/c1-25-13-17-29(18-14-25)34(30-19-15-26(2)16-20-30)32-23-21-31(22-24-32)33(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h3-19,21-24,30H,20H2,1-2H3
InChIKeyBQOZCSPNYPVGRB-UHFFFAOYSA-N
MW442.61 g/mol
LogP8.88
Rot. Bonds6

About 1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-(4-methylphenyl)-4-N,4-N-diphenylbenzene-1,4-diamine

1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-(4-methylphenyl)-4-N,4-N-diphenylbenzene-1,4-diamine (PubChem CID 143286493) has the molecular formula C32H30N2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-(4-methylphenyl)-4-N,4-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-(4-methylphenyl)-4-N,4-N-diphenylbenzene-1,4-diamine
PubChem CID143286493
Molecular FormulaC32H30N2
Molecular Weight442.61 g/mol
Exact Mass442.24
IUPAC Name1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-(4-methylphenyl)-4-N,4-N-diphenylbenzene-1,4-diamine
SMILESCC1=CCC(N(c2ccc(C)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)C=C1
InChIInChI=1S/C32H30N2/c1-25-13-17-29(18-14-25)34(30-19-15-26(2)16-20-30)32-23-21-31(22-24-32)33(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h3-19,21-24,30H,20H2,1-2H3
InChIKeyBQOZCSPNYPVGRB-UHFFFAOYSA-N
XLogP8.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.61
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-[4-[4-(4-methyl-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 88941579
4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[(E)-2-[4-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]aniline
CID 154950473
6-N-(4-methylcyclohexa-2,4-dien-1-yl)-6-N,12-N-bis(4-methylphenyl)-12-N-phenylchrysene-6,12-diamine
CID 143676906
4-N-[4-[4-[4-(N-(4-aminocyclohexa-2,4-dien-1-yl)anilino)phenyl]phenyl]phenyl]-4-N-phenylbenzene-1,4-diamine
CID 143113021
7-[bis(4-methylphenyl)methyl]-2-N-(4-methylcyclohexa-2,4-dien-1-yl)-2-N,2-N',2-N',7-N',7-N'-pentakis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7'-triamine
CID 145338002
4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexyl]phenyl]aniline
CID 142867911
1-N-cyclohexa-2,4-dien-1-yl-4-N,4-N-diphenyl-1-N-[4-[4-(N-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 143746563
N-[(1S)-4-bromocyclohexa-2,4-dien-1-yl]-N-phenylaniline
CID 144816017
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-phenylaniline
CID 166906979
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 1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-(4-methylphenyl)-4-N,4-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-(4-methylphenyl)-4-N,4-N-diphenylbenzene-1,4-diamine (CID 143286493) is 1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-(4-methylphenyl)-4-N,4-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-(4-methylphenyl)-4-N,4-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-(4-methylphenyl)-4-N,4-N-diphenylbenzene-1,4-diamine is CC1=CCC(N(c2ccc(C)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)C=C1.
What is the InChIKey of 1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-(4-methylphenyl)-4-N,4-N-diphenylbenzene-1,4-diamine?
The InChIKey is BQOZCSPNYPVGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2/c1-25-13-17-29(18-14-25)34(30-19-15-26(2)16-20-30)32-23-21-31(22-24-32)33(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h3-19,21-24,30H,20H2,1-2H3.
What are the key properties of 1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-(4-methylphenyl)-4-N,4-N-diphenylbenzene-1,4-diamine?
1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-(4-methylphenyl)-4-N,4-N-diphenylbenzene-1,4-diamine has a molecular weight of 442.61 g/mol, XLogP of 8.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-(4-methylphenyl)-4-N,4-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 143286493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).