N-(3,3-diphenylprop-2-enyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine

C39H37NO — CID 73335926

IUPACN-(3,3-diphenylprop-2-enyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine
SMILESCOc1ccc([C@@H](C)N(CC=C(c2ccccc2)c2ccccc2)CC=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H37NO/c1-31(32-23-25-37(41-2)26-24-32)40(29-27-38(33-15-7-3-8-16-33)34-17-9-4-10-18-34)30-28-39(35-19-11-5-12-20-35)36-21-13-6-14-22-36/h3-28,31H,29-30H2,1-2H3/t31-/m1/s1
InChIKeyQFQCEELOTGVEPU-WJOKGBTCSA-N
MW535.73 g/mol
LogP9.32
Rot. Bonds11

About N-(3,3-diphenylprop-2-enyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine

N-(3,3-diphenylprop-2-enyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine (PubChem CID 73335926) has the molecular formula C39H37NO and a molecular weight of 535.73 g/mol. Its IUPAC name is N-(3,3-diphenylprop-2-enyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(3,3-diphenylprop-2-enyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine
PubChem CID73335926
Molecular FormulaC39H37NO
Molecular Weight535.73 g/mol
Exact Mass535.29
IUPAC NameN-(3,3-diphenylprop-2-enyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine
SMILESCOc1ccc([C@@H](C)N(CC=C(c2ccccc2)c2ccccc2)CC=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H37NO/c1-31(32-23-25-37(41-2)26-24-32)40(29-27-38(33-15-7-3-8-16-33)34-17-9-4-10-18-34)30-28-39(35-19-11-5-12-20-35)36-21-13-6-14-22-36/h3-28,31H,29-30H2,1-2H3/t31-/m1/s1
InChIKeyQFQCEELOTGVEPU-WJOKGBTCSA-N
XLogP9.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.73
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylprop-2-enyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine?
The IUPAC name of N-(3,3-diphenylprop-2-enyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine (CID 73335926) is N-(3,3-diphenylprop-2-enyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine.
What is the SMILES notation for N-(3,3-diphenylprop-2-enyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine?
The canonical SMILES for N-(3,3-diphenylprop-2-enyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine is COc1ccc([C@@H](C)N(CC=C(c2ccccc2)c2ccccc2)CC=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(3,3-diphenylprop-2-enyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine?
The InChIKey is QFQCEELOTGVEPU-WJOKGBTCSA-N. The full InChI is InChI=1S/C39H37NO/c1-31(32-23-25-37(41-2)26-24-32)40(29-27-38(33-15-7-3-8-16-33)34-17-9-4-10-18-34)30-28-39(35-19-11-5-12-20-35)36-21-13-6-14-22-36/h3-28,31H,29-30H2,1-2H3/t31-/m1/s1.
What are the key properties of N-(3,3-diphenylprop-2-enyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine?
N-(3,3-diphenylprop-2-enyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine has a molecular weight of 535.73 g/mol, XLogP of 9.32, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylprop-2-enyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine is sourced from PubChem (CID 73335926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).