(Z)-3-[4-[5-(4-benzhydrylphenyl)naphthalen-1-yl]phenyl]-1,3-diphenylprop-1-ene-1,3-diamine

C50H40N2 — CID 142425086

About (Z)-3-[4-[5-(4-benzhydrylphenyl)naphthalen-1-yl]phenyl]-1,3-diphenylprop-1-ene-1,3-diamine

(Z)-3-[4-[5-(4-benzhydrylphenyl)naphthalen-1-yl]phenyl]-1,3-diphenylprop-1-ene-1,3-diamine (PubChem CID 142425086) has the molecular formula C50H40N2 and a molecular weight of 668.88 g/mol. Its IUPAC name is (Z)-3-[4-[5-(4-benzhydrylphenyl)naphthalen-1-yl]phenyl]-1,3-diphenylprop-1-ene-1,3-diamine.

Molecular Properties

• Compound Name: (Z)-3-[4-[5-(4-benzhydrylphenyl)naphthalen-1-yl]phenyl]-1,3-diphenylprop-1-ene-1,3-diamine
• PubChem CID: 142425086
• Molecular Formula: C50H40N2
• Molecular Weight: 668.88 g/mol
• Exact Mass: 668.32
• IUPAC Name: (Z)-3-[4-[5-(4-benzhydrylphenyl)naphthalen-1-yl]phenyl]-1,3-diphenylprop-1-ene-1,3-diamine
• SMILES: N/C(=C\C(N)(c1ccccc1)c1ccc(-c2cccc3c(-c4ccc(C(c5ccccc5)c5ccccc5)cc4)cccc23)cc1)c1ccccc1
• InChI: InChI=1S/C50H40N2/c51-48(38-15-5-1-6-16-38)35-50(52,42-21-11-4-12-22-42)43-33-31-37(32-34-43)45-24-14-25-46-44(23-13-26-47(45)46)36-27-29-41(30-28-36)49(39-17-7-2-8-18-39)40-19-9-3-10-20-40/h1-35,49H,51-52H2/b48-35-
• InChIKey: QYGMWUDJWQNFAE-HIARGPHVSA-N
• XLogP: 11.56
• TPSA: 52.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.88
LogP ≤ 5	11.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-[5-(4-benzhydrylphenyl)naphthalen-1-yl]phenyl]-1,3-diphenylprop-1-ene-1,3-diamine?

The IUPAC name of (Z)-3-[4-[5-(4-benzhydrylphenyl)naphthalen-1-yl]phenyl]-1,3-diphenylprop-1-ene-1,3-diamine (CID 142425086) is (Z)-3-[4-[5-(4-benzhydrylphenyl)naphthalen-1-yl]phenyl]-1,3-diphenylprop-1-ene-1,3-diamine.

What is the SMILES notation for (Z)-3-[4-[5-(4-benzhydrylphenyl)naphthalen-1-yl]phenyl]-1,3-diphenylprop-1-ene-1,3-diamine?

The canonical SMILES for (Z)-3-[4-[5-(4-benzhydrylphenyl)naphthalen-1-yl]phenyl]-1,3-diphenylprop-1-ene-1,3-diamine is N/C(=C\C(N)(c1ccccc1)c1ccc(-c2cccc3c(-c4ccc(C(c5ccccc5)c5ccccc5)cc4)cccc23)cc1)c1ccccc1.

What is the InChIKey of (Z)-3-[4-[5-(4-benzhydrylphenyl)naphthalen-1-yl]phenyl]-1,3-diphenylprop-1-ene-1,3-diamine?

The InChIKey is QYGMWUDJWQNFAE-HIARGPHVSA-N. The full InChI is InChI=1S/C50H40N2/c51-48(38-15-5-1-6-16-38)35-50(52,42-21-11-4-12-22-42)43-33-31-37(32-34-43)45-24-14-25-46-44(23-13-26-47(45)46)36-27-29-41(30-28-36)49(39-17-7-2-8-18-39)40-19-9-3-10-20-40/h1-35,49H,51-52H2/b48-35-.

What are the key properties of (Z)-3-[4-[5-(4-benzhydrylphenyl)naphthalen-1-yl]phenyl]-1,3-diphenylprop-1-ene-1,3-diamine?

(Z)-3-[4-[5-(4-benzhydrylphenyl)naphthalen-1-yl]phenyl]-1,3-diphenylprop-1-ene-1,3-diamine has a molecular weight of 668.88 g/mol, XLogP of 11.56, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-[4-[5-(4-benzhydrylphenyl)naphthalen-1-yl]phenyl]-1,3-diphenylprop-1-ene-1,3-diamine is sourced from PubChem (CID 142425086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).