N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline

C25H23N — CID 154955110

IUPACN-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline
SMILESCC1(c2ccccc2)C=CC(Nc2ccc(-c3ccccc3)cc2)=CC1
InChIInChI=1S/C25H23N/c1-25(22-10-6-3-7-11-22)18-16-24(17-19-25)26-23-14-12-21(13-15-23)20-8-4-2-5-9-20/h2-18,26H,19H2,1H3
InChIKeyFWKAMKYEEWOTFK-UHFFFAOYSA-N
MW337.47 g/mol
LogP6.57
Rot. Bonds4

About N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline

N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline (PubChem CID 154955110) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline.

Molecular Properties

Compound NameN-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline
PubChem CID154955110
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC NameN-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline
SMILESCC1(c2ccccc2)C=CC(Nc2ccc(-c3ccccc3)cc2)=CC1
InChIInChI=1S/C25H23N/c1-25(22-10-6-3-7-11-22)18-16-24(17-19-25)26-23-14-12-21(13-15-23)20-8-4-2-5-9-20/h2-18,26H,19H2,1H3
InChIKeyFWKAMKYEEWOTFK-UHFFFAOYSA-N
XLogP6.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline?
The IUPAC name of N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline (CID 154955110) is N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline.
What is the SMILES notation for N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline?
The canonical SMILES for N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline is CC1(c2ccccc2)C=CC(Nc2ccc(-c3ccccc3)cc2)=CC1.
What is the InChIKey of N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline?
The InChIKey is FWKAMKYEEWOTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N/c1-25(22-10-6-3-7-11-22)18-16-24(17-19-25)26-23-14-12-21(13-15-23)20-8-4-2-5-9-20/h2-18,26H,19H2,1H3.
What are the key properties of N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline?
N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline has a molecular weight of 337.47 g/mol, XLogP of 6.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline is sourced from PubChem (CID 154955110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).