4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)-N-phenylaniline

C33H27NO — CID 14549591

IUPAC4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)-N-phenylaniline
SMILESCOc1ccc(N(c2ccccc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C33H27NO/c1-35-32-23-21-31(22-24-32)34(29-15-9-4-10-16-29)30-19-17-26(18-20-30)25-33(27-11-5-2-6-12-27)28-13-7-3-8-14-28/h2-25H,1H3
InChIKeyYBZDXRNISDJPIP-UHFFFAOYSA-N
MW453.59 g/mol
LogP8.75
Rot. Bonds7

About 4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)-N-phenylaniline

4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)-N-phenylaniline (PubChem CID 14549591) has the molecular formula C33H27NO and a molecular weight of 453.59 g/mol. Its IUPAC name is 4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)-N-phenylaniline.

Molecular Properties

Compound Name4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)-N-phenylaniline
PubChem CID14549591
Molecular FormulaC33H27NO
Molecular Weight453.59 g/mol
Exact Mass453.21
IUPAC Name4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)-N-phenylaniline
SMILESCOc1ccc(N(c2ccccc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C33H27NO/c1-35-32-23-21-31(22-24-32)34(29-15-9-4-10-16-29)30-19-17-26(18-20-30)25-33(27-11-5-2-6-12-27)28-13-7-3-8-14-28/h2-25H,1H3
InChIKeyYBZDXRNISDJPIP-UHFFFAOYSA-N
XLogP8.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)-N-phenylaniline?
The IUPAC name of 4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)-N-phenylaniline (CID 14549591) is 4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)-N-phenylaniline.
What is the SMILES notation for 4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)-N-phenylaniline?
The canonical SMILES for 4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)-N-phenylaniline is COc1ccc(N(c2ccccc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)-N-phenylaniline?
The InChIKey is YBZDXRNISDJPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27NO/c1-35-32-23-21-31(22-24-32)34(29-15-9-4-10-16-29)30-19-17-26(18-20-30)25-33(27-11-5-2-6-12-27)28-13-7-3-8-14-28/h2-25H,1H3.
What are the key properties of 4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)-N-phenylaniline?
4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)-N-phenylaniline has a molecular weight of 453.59 g/mol, XLogP of 8.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)-N-phenylaniline is sourced from PubChem (CID 14549591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).