N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline

C31H29N — CID 134171912

IUPACN-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline
SMILESCc1ccc(C2=CC=C(c3ccc(N(C4=CC=CCC4)c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C31H29N/c1-24-12-14-25(15-13-24)26-16-18-27(19-17-26)28-20-22-31(23-21-28)32(29-8-4-2-5-9-29)30-10-6-3-7-11-30/h2-6,8-10,12-16,18,20-23H,7,11,17,19H2,1H3
InChIKeyOHDVQTWWHFQZRA-UHFFFAOYSA-N
MW415.58 g/mol
LogP8.63
Rot. Bonds5

About N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline

N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline (PubChem CID 134171912) has the molecular formula C31H29N and a molecular weight of 415.58 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline
PubChem CID134171912
Molecular FormulaC31H29N
Molecular Weight415.58 g/mol
Exact Mass415.23
IUPAC NameN-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline
SMILESCc1ccc(C2=CC=C(c3ccc(N(C4=CC=CCC4)c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C31H29N/c1-24-12-14-25(15-13-24)26-16-18-27(19-17-26)28-20-22-31(23-21-28)32(29-8-4-2-5-9-29)30-10-6-3-7-11-30/h2-6,8-10,12-16,18,20-23H,7,11,17,19H2,1H3
InChIKeyOHDVQTWWHFQZRA-UHFFFAOYSA-N
XLogP8.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 143269273
N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
CID 143438550
4-tert-butyl-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline
CID 163765036
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 138636998
N-phenyl-4-[4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 156569222
1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine
CID 89035334
N-cyclohexa-1,3-dien-1-yl-N-(4-methylphenyl)naphthalen-1-amine
CID 129170977
N-[4-[4-[4-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 145063466
N-[4-[4-(4-bromophenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline
CID 123430407
N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-[4-(N-phenylanilino)phenyl]sulfonylaniline
CID 170319221
9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766421
N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline
CID 67121499

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline (CID 134171912) is N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline is Cc1ccc(C2=CC=C(c3ccc(N(C4=CC=CCC4)c4ccccc4)cc3)CC2)cc1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline?
The InChIKey is OHDVQTWWHFQZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N/c1-24-12-14-25(15-13-24)26-16-18-27(19-17-26)28-20-22-31(23-21-28)32(29-8-4-2-5-9-29)30-10-6-3-7-11-30/h2-6,8-10,12-16,18,20-23H,7,11,17,19H2,1H3.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline?
N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline has a molecular weight of 415.58 g/mol, XLogP of 8.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline is sourced from PubChem (CID 134171912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).