4-(2,2-diphenylethenyl)-3-fluoro-N,N-bis(4-methylphenyl)aniline

C34H28FN — CID 20685506

IUPAC4-(2,2-diphenylethenyl)-3-fluoro-N,N-bis(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(C=C(c3ccccc3)c3ccccc3)c(F)c2)cc1
InChIInChI=1S/C34H28FN/c1-25-13-18-30(19-14-25)36(31-20-15-26(2)16-21-31)32-22-17-29(34(35)24-32)23-33(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h3-24H,1-2H3
InChIKeyFJWATGHXFWNXJJ-UHFFFAOYSA-N
MW469.60 g/mol
LogP9.50
Rot. Bonds6

About 4-(2,2-diphenylethenyl)-3-fluoro-N,N-bis(4-methylphenyl)aniline

4-(2,2-diphenylethenyl)-3-fluoro-N,N-bis(4-methylphenyl)aniline (PubChem CID 20685506) has the molecular formula C34H28FN and a molecular weight of 469.60 g/mol. Its IUPAC name is 4-(2,2-diphenylethenyl)-3-fluoro-N,N-bis(4-methylphenyl)aniline.

Molecular Properties

Compound Name4-(2,2-diphenylethenyl)-3-fluoro-N,N-bis(4-methylphenyl)aniline
PubChem CID20685506
Molecular FormulaC34H28FN
Molecular Weight469.60 g/mol
Exact Mass469.22
IUPAC Name4-(2,2-diphenylethenyl)-3-fluoro-N,N-bis(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(C=C(c3ccccc3)c3ccccc3)c(F)c2)cc1
InChIInChI=1S/C34H28FN/c1-25-13-18-30(19-14-25)36(31-20-15-26(2)16-21-31)32-22-17-29(34(35)24-32)23-33(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h3-24H,1-2H3
InChIKeyFJWATGHXFWNXJJ-UHFFFAOYSA-N
XLogP9.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.60
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-3-fluoro-N,N-bis(4-methylphenyl)aniline?
The IUPAC name of 4-(2,2-diphenylethenyl)-3-fluoro-N,N-bis(4-methylphenyl)aniline (CID 20685506) is 4-(2,2-diphenylethenyl)-3-fluoro-N,N-bis(4-methylphenyl)aniline.
What is the SMILES notation for 4-(2,2-diphenylethenyl)-3-fluoro-N,N-bis(4-methylphenyl)aniline?
The canonical SMILES for 4-(2,2-diphenylethenyl)-3-fluoro-N,N-bis(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=C(c3ccccc3)c3ccccc3)c(F)c2)cc1.
What is the InChIKey of 4-(2,2-diphenylethenyl)-3-fluoro-N,N-bis(4-methylphenyl)aniline?
The InChIKey is FJWATGHXFWNXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28FN/c1-25-13-18-30(19-14-25)36(31-20-15-26(2)16-21-31)32-22-17-29(34(35)24-32)23-33(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h3-24H,1-2H3.
What are the key properties of 4-(2,2-diphenylethenyl)-3-fluoro-N,N-bis(4-methylphenyl)aniline?
4-(2,2-diphenylethenyl)-3-fluoro-N,N-bis(4-methylphenyl)aniline has a molecular weight of 469.60 g/mol, XLogP of 9.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diphenylethenyl)-3-fluoro-N,N-bis(4-methylphenyl)aniline is sourced from PubChem (CID 20685506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).