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

C32H29N — CID 129281968

IUPACN-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline
SMILESCc1ccc(-c2cccc(-c3cccc(C4=CCC(N(C)c5ccccc5)C=C4)c3)c2)cc1
InChIInChI=1S/C32H29N/c1-24-14-16-25(17-15-24)27-8-6-10-29(22-27)30-11-7-9-28(23-30)26-18-20-32(21-19-26)33(2)31-12-4-3-5-13-31/h3-20,22-23,32H,21H2,1-2H3
InChIKeyADDJZAKHIQJLFB-UHFFFAOYSA-N
MW427.59 g/mol
LogP8.18
Rot. Bonds5

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

N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline (PubChem CID 129281968) has the molecular formula C32H29N and a molecular weight of 427.59 g/mol. Its IUPAC name is N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline.

Molecular Properties

Compound NameN-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline
PubChem CID129281968
Molecular FormulaC32H29N
Molecular Weight427.59 g/mol
Exact Mass427.23
IUPAC NameN-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline
SMILESCc1ccc(-c2cccc(-c3cccc(C4=CCC(N(C)c5ccccc5)C=C4)c3)c2)cc1
InChIInChI=1S/C32H29N/c1-24-14-16-25(17-15-24)27-8-6-10-29(22-27)30-11-7-9-28(23-30)26-18-20-32(21-19-26)33(2)31-12-4-3-5-13-31/h3-20,22-23,32H,21H2,1-2H3
InChIKeyADDJZAKHIQJLFB-UHFFFAOYSA-N
XLogP8.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline?
The IUPAC name of N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline (CID 129281968) is N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline.
What is the SMILES notation for N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline?
The canonical SMILES for N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline is Cc1ccc(-c2cccc(-c3cccc(C4=CCC(N(C)c5ccccc5)C=C4)c3)c2)cc1.
What is the InChIKey of N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline?
The InChIKey is ADDJZAKHIQJLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N/c1-24-14-16-25(17-15-24)27-8-6-10-29(22-27)30-11-7-9-28(23-30)26-18-20-32(21-19-26)33(2)31-12-4-3-5-13-31/h3-20,22-23,32H,21H2,1-2H3.
What are the key properties of N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline?
N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline has a molecular weight of 427.59 g/mol, XLogP of 8.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline is sourced from PubChem (CID 129281968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).