(Z)-N-[[2-methyl-5-(3-phenylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methyl]-1,3-diphenylprop-1-ene-1,3-diamine

C37H34N2O — CID 122591861

IUPAC(Z)-N-[[2-methyl-5-(3-phenylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methyl]-1,3-diphenylprop-1-ene-1,3-diamine
SMILESCC1Cc2cc(-c3cccc(-c4ccccc4)c3)cc(CN/C(=C\C(N)c3ccccc3)c3ccccc3)c2O1
InChIInChI=1S/C37H34N2O/c1-26-20-33-22-32(31-19-11-18-30(21-31)27-12-5-2-6-13-27)23-34(37(33)40-26)25-39-36(29-16-9-4-10-17-29)24-35(38)28-14-7-3-8-15-28/h2-19,21-24,26,35,39H,20,25,38H2,1H3/b36-24-
InChIKeyKWXCLFFUCVPWMT-IBTHDSTKSA-N
MW522.69 g/mol
LogP8.17
Rot. Bonds8

About (Z)-N-[[2-methyl-5-(3-phenylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methyl]-1,3-diphenylprop-1-ene-1,3-diamine

(Z)-N-[[2-methyl-5-(3-phenylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methyl]-1,3-diphenylprop-1-ene-1,3-diamine (PubChem CID 122591861) has the molecular formula C37H34N2O and a molecular weight of 522.69 g/mol. Its IUPAC name is (Z)-N-[[2-methyl-5-(3-phenylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methyl]-1,3-diphenylprop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-N-[[2-methyl-5-(3-phenylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methyl]-1,3-diphenylprop-1-ene-1,3-diamine
PubChem CID122591861
Molecular FormulaC37H34N2O
Molecular Weight522.69 g/mol
Exact Mass522.27
IUPAC Name(Z)-N-[[2-methyl-5-(3-phenylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methyl]-1,3-diphenylprop-1-ene-1,3-diamine
SMILESCC1Cc2cc(-c3cccc(-c4ccccc4)c3)cc(CN/C(=C\C(N)c3ccccc3)c3ccccc3)c2O1
InChIInChI=1S/C37H34N2O/c1-26-20-33-22-32(31-19-11-18-30(21-31)27-12-5-2-6-13-27)23-34(37(33)40-26)25-39-36(29-16-9-4-10-17-29)24-35(38)28-14-7-3-8-15-28/h2-19,21-24,26,35,39H,20,25,38H2,1H3/b36-24-
InChIKeyKWXCLFFUCVPWMT-IBTHDSTKSA-N
XLogP8.17
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 58.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (Z)-N-[[2-methyl-5-(3-phenylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methyl]-1,3-diphenylprop-1-ene-1,3-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[[2-methyl-5-(3-phenylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methyl]-1,3-diphenylprop-1-ene-1,3-diamine?
The IUPAC name of (Z)-N-[[2-methyl-5-(3-phenylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methyl]-1,3-diphenylprop-1-ene-1,3-diamine (CID 122591861) is (Z)-N-[[2-methyl-5-(3-phenylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methyl]-1,3-diphenylprop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-N-[[2-methyl-5-(3-phenylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methyl]-1,3-diphenylprop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-N-[[2-methyl-5-(3-phenylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methyl]-1,3-diphenylprop-1-ene-1,3-diamine is CC1Cc2cc(-c3cccc(-c4ccccc4)c3)cc(CN/C(=C\C(N)c3ccccc3)c3ccccc3)c2O1.
What is the InChIKey of (Z)-N-[[2-methyl-5-(3-phenylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methyl]-1,3-diphenylprop-1-ene-1,3-diamine?
The InChIKey is KWXCLFFUCVPWMT-IBTHDSTKSA-N. The full InChI is InChI=1S/C37H34N2O/c1-26-20-33-22-32(31-19-11-18-30(21-31)27-12-5-2-6-13-27)23-34(37(33)40-26)25-39-36(29-16-9-4-10-17-29)24-35(38)28-14-7-3-8-15-28/h2-19,21-24,26,35,39H,20,25,38H2,1H3/b36-24-.
What are the key properties of (Z)-N-[[2-methyl-5-(3-phenylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methyl]-1,3-diphenylprop-1-ene-1,3-diamine?
(Z)-N-[[2-methyl-5-(3-phenylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methyl]-1,3-diphenylprop-1-ene-1,3-diamine has a molecular weight of 522.69 g/mol, XLogP of 8.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[2-methyl-5-(3-phenylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methyl]-1,3-diphenylprop-1-ene-1,3-diamine is sourced from PubChem (CID 122591861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).