(Z)-3-[4-[2-(4-chlorophenyl)cyclohexen-1-yl]phenyl]-1,3-diphenylprop-1-en-1-amine

C33H30ClN — CID 174278364

IUPAC(Z)-3-[4-[2-(4-chlorophenyl)cyclohexen-1-yl]phenyl]-1,3-diphenylprop-1-en-1-amine
SMILESN/C(=C\C(c1ccccc1)c1ccc(C2=C(c3ccc(Cl)cc3)CCCC2)cc1)c1ccccc1
InChIInChI=1S/C33H30ClN/c34-29-21-19-26(20-22-29)31-14-8-7-13-30(31)25-15-17-27(18-16-25)32(24-9-3-1-4-10-24)23-33(35)28-11-5-2-6-12-28/h1-6,9-12,15-23,32H,7-8,13-14,35H2/b33-23-
InChIKeyPDFDYKZFBSGHCT-SNCSUOKWSA-N
MW476.06 g/mol
LogP8.96
Rot. Bonds6

About (Z)-3-[4-[2-(4-chlorophenyl)cyclohexen-1-yl]phenyl]-1,3-diphenylprop-1-en-1-amine

(Z)-3-[4-[2-(4-chlorophenyl)cyclohexen-1-yl]phenyl]-1,3-diphenylprop-1-en-1-amine (PubChem CID 174278364) has the molecular formula C33H30ClN and a molecular weight of 476.06 g/mol. Its IUPAC name is (Z)-3-[4-[2-(4-chlorophenyl)cyclohexen-1-yl]phenyl]-1,3-diphenylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-[4-[2-(4-chlorophenyl)cyclohexen-1-yl]phenyl]-1,3-diphenylprop-1-en-1-amine
PubChem CID174278364
Molecular FormulaC33H30ClN
Molecular Weight476.06 g/mol
Exact Mass475.21
IUPAC Name(Z)-3-[4-[2-(4-chlorophenyl)cyclohexen-1-yl]phenyl]-1,3-diphenylprop-1-en-1-amine
SMILESN/C(=C\C(c1ccccc1)c1ccc(C2=C(c3ccc(Cl)cc3)CCCC2)cc1)c1ccccc1
InChIInChI=1S/C33H30ClN/c34-29-21-19-26(20-22-29)31-14-8-7-13-30(31)25-15-17-27(18-16-25)32(24-9-3-1-4-10-24)23-33(35)28-11-5-2-6-12-28/h1-6,9-12,15-23,32H,7-8,13-14,35H2/b33-23-
InChIKeyPDFDYKZFBSGHCT-SNCSUOKWSA-N
XLogP8.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.06
LogP ≤ 58.96
H-Bond Donors ≤ 51
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 (Z)-3-[4-[2-(4-chlorophenyl)cyclohexen-1-yl]phenyl]-1,3-diphenylprop-1-en-1-amine?
The IUPAC name of (Z)-3-[4-[2-(4-chlorophenyl)cyclohexen-1-yl]phenyl]-1,3-diphenylprop-1-en-1-amine (CID 174278364) is (Z)-3-[4-[2-(4-chlorophenyl)cyclohexen-1-yl]phenyl]-1,3-diphenylprop-1-en-1-amine.
What is the SMILES notation for (Z)-3-[4-[2-(4-chlorophenyl)cyclohexen-1-yl]phenyl]-1,3-diphenylprop-1-en-1-amine?
The canonical SMILES for (Z)-3-[4-[2-(4-chlorophenyl)cyclohexen-1-yl]phenyl]-1,3-diphenylprop-1-en-1-amine is N/C(=C\C(c1ccccc1)c1ccc(C2=C(c3ccc(Cl)cc3)CCCC2)cc1)c1ccccc1.
What is the InChIKey of (Z)-3-[4-[2-(4-chlorophenyl)cyclohexen-1-yl]phenyl]-1,3-diphenylprop-1-en-1-amine?
The InChIKey is PDFDYKZFBSGHCT-SNCSUOKWSA-N. The full InChI is InChI=1S/C33H30ClN/c34-29-21-19-26(20-22-29)31-14-8-7-13-30(31)25-15-17-27(18-16-25)32(24-9-3-1-4-10-24)23-33(35)28-11-5-2-6-12-28/h1-6,9-12,15-23,32H,7-8,13-14,35H2/b33-23-.
What are the key properties of (Z)-3-[4-[2-(4-chlorophenyl)cyclohexen-1-yl]phenyl]-1,3-diphenylprop-1-en-1-amine?
(Z)-3-[4-[2-(4-chlorophenyl)cyclohexen-1-yl]phenyl]-1,3-diphenylprop-1-en-1-amine has a molecular weight of 476.06 g/mol, XLogP of 8.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-[2-(4-chlorophenyl)cyclohexen-1-yl]phenyl]-1,3-diphenylprop-1-en-1-amine is sourced from PubChem (CID 174278364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).