(4-phenylphenyl)methyl 1-[(Z)-5-(3,5-dimethylphenoxy)-1-phenylpent-1-en-2-yl]naphthalene-2-carboxylate

C43H38O3 — CID 169490677

IUPAC(4-phenylphenyl)methyl 1-[(Z)-5-(3,5-dimethylphenoxy)-1-phenylpent-1-en-2-yl]naphthalene-2-carboxylate
SMILESCc1cc(C)cc(OCCC/C(=C/c2ccccc2)c2c(C(=O)OCc3ccc(-c4ccccc4)cc3)ccc3ccccc23)c1
InChIInChI=1S/C43H38O3/c1-31-26-32(2)28-39(27-31)45-25-11-17-38(29-33-12-5-3-6-13-33)42-40-18-10-9-16-37(40)23-24-41(42)43(44)46-30-34-19-21-36(22-20-34)35-14-7-4-8-15-35/h3-10,12-16,18-24,26-29H,11,17,25,30H2,1-2H3/b38-29-
InChIKeyJEKGHDSGCLYPMM-ZDNCSJAVSA-N
MW602.77 g/mol
LogP10.88
Rot. Bonds11

About (4-phenylphenyl)methyl 1-[(Z)-5-(3,5-dimethylphenoxy)-1-phenylpent-1-en-2-yl]naphthalene-2-carboxylate

(4-phenylphenyl)methyl 1-[(Z)-5-(3,5-dimethylphenoxy)-1-phenylpent-1-en-2-yl]naphthalene-2-carboxylate (PubChem CID 169490677) has the molecular formula C43H38O3 and a molecular weight of 602.77 g/mol. Its IUPAC name is (4-phenylphenyl)methyl 1-[(Z)-5-(3,5-dimethylphenoxy)-1-phenylpent-1-en-2-yl]naphthalene-2-carboxylate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl 1-[(Z)-5-(3,5-dimethylphenoxy)-1-phenylpent-1-en-2-yl]naphthalene-2-carboxylate
PubChem CID169490677
Molecular FormulaC43H38O3
Molecular Weight602.77 g/mol
Exact Mass602.28
IUPAC Name(4-phenylphenyl)methyl 1-[(Z)-5-(3,5-dimethylphenoxy)-1-phenylpent-1-en-2-yl]naphthalene-2-carboxylate
SMILESCc1cc(C)cc(OCCC/C(=C/c2ccccc2)c2c(C(=O)OCc3ccc(-c4ccccc4)cc3)ccc3ccccc23)c1
InChIInChI=1S/C43H38O3/c1-31-26-32(2)28-39(27-31)45-25-11-17-38(29-33-12-5-3-6-13-33)42-40-18-10-9-16-37(40)23-24-41(42)43(44)46-30-34-19-21-36(22-20-34)35-14-7-4-8-15-35/h3-10,12-16,18-24,26-29H,11,17,25,30H2,1-2H3/b38-29-
InChIKeyJEKGHDSGCLYPMM-ZDNCSJAVSA-N
XLogP10.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.77
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-phenylphenyl)methyl 1-[(Z)-5-(3,5-dimethylphenoxy)-1-phenylpent-1-en-2-yl]naphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Adapalene
CID 60164
Alpha-Naphthoflavone
CID 11790
Cra 13
CID 9799417
C.I. Vat Green 1
CID 31410
3-Methoxy-7H-benz(de)anthracen-7-one
CID 77267
2-Naphthyl benzoate
CID 66734
6-Methoxy-2-Naphthoic Acid
CID 349181
Acetyl-podocarpic dimer
CID 9830426
Ethyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 2732945
9,10-Anthracenedione, 1,5-diphenoxy-
CID 6699
Nsc50155
CID 242043
Acrylic acid derivative, 14
CID 10136146

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl 1-[(Z)-5-(3,5-dimethylphenoxy)-1-phenylpent-1-en-2-yl]naphthalene-2-carboxylate?
The IUPAC name of (4-phenylphenyl)methyl 1-[(Z)-5-(3,5-dimethylphenoxy)-1-phenylpent-1-en-2-yl]naphthalene-2-carboxylate (CID 169490677) is (4-phenylphenyl)methyl 1-[(Z)-5-(3,5-dimethylphenoxy)-1-phenylpent-1-en-2-yl]naphthalene-2-carboxylate.
What is the SMILES notation for (4-phenylphenyl)methyl 1-[(Z)-5-(3,5-dimethylphenoxy)-1-phenylpent-1-en-2-yl]naphthalene-2-carboxylate?
The canonical SMILES for (4-phenylphenyl)methyl 1-[(Z)-5-(3,5-dimethylphenoxy)-1-phenylpent-1-en-2-yl]naphthalene-2-carboxylate is Cc1cc(C)cc(OCCC/C(=C/c2ccccc2)c2c(C(=O)OCc3ccc(-c4ccccc4)cc3)ccc3ccccc23)c1.
What is the InChIKey of (4-phenylphenyl)methyl 1-[(Z)-5-(3,5-dimethylphenoxy)-1-phenylpent-1-en-2-yl]naphthalene-2-carboxylate?
The InChIKey is JEKGHDSGCLYPMM-ZDNCSJAVSA-N. The full InChI is InChI=1S/C43H38O3/c1-31-26-32(2)28-39(27-31)45-25-11-17-38(29-33-12-5-3-6-13-33)42-40-18-10-9-16-37(40)23-24-41(42)43(44)46-30-34-19-21-36(22-20-34)35-14-7-4-8-15-35/h3-10,12-16,18-24,26-29H,11,17,25,30H2,1-2H3/b38-29-.
What are the key properties of (4-phenylphenyl)methyl 1-[(Z)-5-(3,5-dimethylphenoxy)-1-phenylpent-1-en-2-yl]naphthalene-2-carboxylate?
(4-phenylphenyl)methyl 1-[(Z)-5-(3,5-dimethylphenoxy)-1-phenylpent-1-en-2-yl]naphthalene-2-carboxylate has a molecular weight of 602.77 g/mol, XLogP of 10.88, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl 1-[(Z)-5-(3,5-dimethylphenoxy)-1-phenylpent-1-en-2-yl]naphthalene-2-carboxylate is sourced from PubChem (CID 169490677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).