N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline

C31H27N — CID 129111085

IUPACN-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C3=CCCC=C3)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C31H27N/c1-24-12-18-29(19-13-24)32(30-20-14-27(15-21-30)25-8-4-2-5-9-25)31-22-16-28(17-23-31)26-10-6-3-7-11-26/h2,4-6,8-23H,3,7H2,1H3
InChIKeyMVWIDMDREHNTLN-UHFFFAOYSA-N
MW413.56 g/mol
LogP8.87
Rot. Bonds5

About N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline

N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline (PubChem CID 129111085) has the molecular formula C31H27N and a molecular weight of 413.56 g/mol. Its IUPAC name is N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
PubChem CID129111085
Molecular FormulaC31H27N
Molecular Weight413.56 g/mol
Exact Mass413.21
IUPAC NameN-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C3=CCCC=C3)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C31H27N/c1-24-12-18-29(19-13-24)32(30-20-14-27(15-21-30)25-8-4-2-5-9-25)31-22-16-28(17-23-31)26-10-6-3-7-11-26/h2,4-6,8-23H,3,7H2,1H3
InChIKeyMVWIDMDREHNTLN-UHFFFAOYSA-N
XLogP8.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline (CID 129111085) is N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline is Cc1ccc(N(c2ccc(C3=CCCC=C3)cc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline?
The InChIKey is MVWIDMDREHNTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N/c1-24-12-18-29(19-13-24)32(30-20-14-27(15-21-30)25-8-4-2-5-9-25)31-22-16-28(17-23-31)26-10-6-3-7-11-26/h2,4-6,8-23H,3,7H2,1H3.
What are the key properties of N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline?
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline has a molecular weight of 413.56 g/mol, XLogP of 8.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 129111085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).