N-(5-methylcyclohexa-1,5-dien-1-yl)-4-(4-methylphenyl)-N-phenylaniline

C26H25N — CID 143665043

IUPACN-(5-methylcyclohexa-1,5-dien-1-yl)-4-(4-methylphenyl)-N-phenylaniline
SMILESCC1=CC(N(c2ccccc2)c2ccc(-c3ccc(C)cc3)cc2)=CCC1
InChIInChI=1S/C26H25N/c1-20-11-13-22(14-12-20)23-15-17-25(18-16-23)27(24-8-4-3-5-9-24)26-10-6-7-21(2)19-26/h3-5,8-19H,6-7H2,1-2H3
InChIKeyBGKWSDSXLZMRLG-UHFFFAOYSA-N
MW351.49 g/mol
LogP7.42
Rot. Bonds4

About N-(5-methylcyclohexa-1,5-dien-1-yl)-4-(4-methylphenyl)-N-phenylaniline

N-(5-methylcyclohexa-1,5-dien-1-yl)-4-(4-methylphenyl)-N-phenylaniline (PubChem CID 143665043) has the molecular formula C26H25N and a molecular weight of 351.49 g/mol. Its IUPAC name is N-(5-methylcyclohexa-1,5-dien-1-yl)-4-(4-methylphenyl)-N-phenylaniline.

Molecular Properties

Compound NameN-(5-methylcyclohexa-1,5-dien-1-yl)-4-(4-methylphenyl)-N-phenylaniline
PubChem CID143665043
Molecular FormulaC26H25N
Molecular Weight351.49 g/mol
Exact Mass351.20
IUPAC NameN-(5-methylcyclohexa-1,5-dien-1-yl)-4-(4-methylphenyl)-N-phenylaniline
SMILESCC1=CC(N(c2ccccc2)c2ccc(-c3ccc(C)cc3)cc2)=CCC1
InChIInChI=1S/C26H25N/c1-20-11-13-22(14-12-20)23-15-17-25(18-16-23)27(24-8-4-3-5-9-24)26-10-6-7-21(2)19-26/h3-5,8-19H,6-7H2,1-2H3
InChIKeyBGKWSDSXLZMRLG-UHFFFAOYSA-N
XLogP7.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylcyclohexa-1,5-dien-1-yl)-4-(4-methylphenyl)-N-phenylaniline?
The IUPAC name of N-(5-methylcyclohexa-1,5-dien-1-yl)-4-(4-methylphenyl)-N-phenylaniline (CID 143665043) is N-(5-methylcyclohexa-1,5-dien-1-yl)-4-(4-methylphenyl)-N-phenylaniline.
What is the SMILES notation for N-(5-methylcyclohexa-1,5-dien-1-yl)-4-(4-methylphenyl)-N-phenylaniline?
The canonical SMILES for N-(5-methylcyclohexa-1,5-dien-1-yl)-4-(4-methylphenyl)-N-phenylaniline is CC1=CC(N(c2ccccc2)c2ccc(-c3ccc(C)cc3)cc2)=CCC1.
What is the InChIKey of N-(5-methylcyclohexa-1,5-dien-1-yl)-4-(4-methylphenyl)-N-phenylaniline?
The InChIKey is BGKWSDSXLZMRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N/c1-20-11-13-22(14-12-20)23-15-17-25(18-16-23)27(24-8-4-3-5-9-24)26-10-6-7-21(2)19-26/h3-5,8-19H,6-7H2,1-2H3.
What are the key properties of N-(5-methylcyclohexa-1,5-dien-1-yl)-4-(4-methylphenyl)-N-phenylaniline?
N-(5-methylcyclohexa-1,5-dien-1-yl)-4-(4-methylphenyl)-N-phenylaniline has a molecular weight of 351.49 g/mol, XLogP of 7.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylcyclohexa-1,5-dien-1-yl)-4-(4-methylphenyl)-N-phenylaniline is sourced from PubChem (CID 143665043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).