4-cyclohexa-1,5-dien-1-yl-N-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]aniline

C32H29N — CID 134228987

IUPAC4-cyclohexa-1,5-dien-1-yl-N-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]aniline
SMILESCc1ccccc1-c1cccc(-c2ccc(Nc3ccc(C4=CCCC=C4)cc3)cc2)c1C
InChIInChI=1S/C32H29N/c1-23-9-6-7-12-30(23)32-14-8-13-31(24(32)2)27-17-21-29(22-18-27)33-28-19-15-26(16-20-28)25-10-4-3-5-11-25/h4,6-22,33H,3,5H2,1-2H3
InChIKeyUTHGQWROUHPFKZ-UHFFFAOYSA-N
MW427.59 g/mol
LogP9.11
Rot. Bonds5

About 4-cyclohexa-1,5-dien-1-yl-N-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]aniline

4-cyclohexa-1,5-dien-1-yl-N-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]aniline (PubChem CID 134228987) has the molecular formula C32H29N and a molecular weight of 427.59 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-N-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-N-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]aniline
PubChem CID134228987
Molecular FormulaC32H29N
Molecular Weight427.59 g/mol
Exact Mass427.23
IUPAC Name4-cyclohexa-1,5-dien-1-yl-N-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]aniline
SMILESCc1ccccc1-c1cccc(-c2ccc(Nc3ccc(C4=CCCC=C4)cc3)cc2)c1C
InChIInChI=1S/C32H29N/c1-23-9-6-7-12-30(23)32-14-8-13-31(24(32)2)27-17-21-29(22-18-27)33-28-19-15-26(16-20-28)25-10-4-3-5-11-25/h4,6-22,33H,3,5H2,1-2H3
InChIKeyUTHGQWROUHPFKZ-UHFFFAOYSA-N
XLogP9.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 59.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene
CID 144787270
N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-1-amine
CID 167190987
N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-2-amine
CID 146594518
1-cyclohexa-1,5-dien-1-yl-3-(2-phenylphenyl)benzene
CID 145066213
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline
CID 167195742
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-phenyl-5,6-dihydronaphthalen-1-amine
CID 71167976
1-methyl-4-[2-methyl-3-(2-methylphenyl)phenyl]-2-(2-methylphenyl)benzene
CID 144952887
N-(4-cyclohexa-1,5-dien-1-ylphenyl)methanesulfonamide
CID 129312965
6-[3-[6-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(2-methyl-3-phenylphenyl)phenyl]phenanthridine
CID 154955581
N-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]aniline
CID 167211663
2-methyl-N-[4-(2-methylphenyl)phenyl]aniline
CID 144650096

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]aniline?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]aniline (CID 134228987) is 4-cyclohexa-1,5-dien-1-yl-N-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]aniline.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-N-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]aniline?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-N-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]aniline is Cc1ccccc1-c1cccc(-c2ccc(Nc3ccc(C4=CCCC=C4)cc3)cc2)c1C.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-N-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]aniline?
The InChIKey is UTHGQWROUHPFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N/c1-23-9-6-7-12-30(23)32-14-8-13-31(24(32)2)27-17-21-29(22-18-27)33-28-19-15-26(16-20-28)25-10-4-3-5-11-25/h4,6-22,33H,3,5H2,1-2H3.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-N-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]aniline?
4-cyclohexa-1,5-dien-1-yl-N-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]aniline has a molecular weight of 427.59 g/mol, XLogP of 9.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-N-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 134228987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).