(Z)-3-[7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine

C52H36N4 — CID 166568749

IUPAC(Z)-3-[7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine
SMILES[H]/N=C(/C=C(/c1ccccc1)c1cccc2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)cc12)c1ccccc1
InChIInChI=1S/C52H36N4/c53-49(40-23-12-4-13-24-40)35-48(38-21-10-3-11-22-38)46-28-16-27-39-29-30-42(34-47(39)46)51-54-50(41-25-14-5-15-26-41)55-52(56-51)45-32-43(36-17-6-1-7-18-36)31-44(33-45)37-19-8-2-9-20-37/h1-35,53H/b48-35-,53-49-
InChIKeyXWNDOJNILYMSAM-JGKNMGDHSA-N
MW716.89 g/mol
LogP12.86
Rot. Bonds9

About (Z)-3-[7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine

(Z)-3-[7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine (PubChem CID 166568749) has the molecular formula C52H36N4 and a molecular weight of 716.89 g/mol. Its IUPAC name is (Z)-3-[7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-[7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine
PubChem CID166568749
Molecular FormulaC52H36N4
Molecular Weight716.89 g/mol
Exact Mass716.29
IUPAC Name(Z)-3-[7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine
SMILES[H]/N=C(/C=C(/c1ccccc1)c1cccc2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)cc12)c1ccccc1
InChIInChI=1S/C52H36N4/c53-49(40-23-12-4-13-24-40)35-48(38-21-10-3-11-22-38)46-28-16-27-39-29-30-42(34-47(39)46)51-54-50(41-25-14-5-15-26-41)55-52(56-51)45-32-43(36-17-6-1-7-18-36)31-44(33-45)37-19-8-2-9-20-37/h1-35,53H/b48-35-,53-49-
InChIKeyXWNDOJNILYMSAM-JGKNMGDHSA-N
XLogP12.86
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.89
LogP ≤ 512.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine?
The IUPAC name of (Z)-3-[7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine (CID 166568749) is (Z)-3-[7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine.
What is the SMILES notation for (Z)-3-[7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine?
The canonical SMILES for (Z)-3-[7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine is [H]/N=C(/C=C(/c1ccccc1)c1cccc2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)cc12)c1ccccc1.
What is the InChIKey of (Z)-3-[7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine?
The InChIKey is XWNDOJNILYMSAM-JGKNMGDHSA-N. The full InChI is InChI=1S/C52H36N4/c53-49(40-23-12-4-13-24-40)35-48(38-21-10-3-11-22-38)46-28-16-27-39-29-30-42(34-47(39)46)51-54-50(41-25-14-5-15-26-41)55-52(56-51)45-32-43(36-17-6-1-7-18-36)31-44(33-45)37-19-8-2-9-20-37/h1-35,53H/b48-35-,53-49-.
What are the key properties of (Z)-3-[7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine?
(Z)-3-[7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine has a molecular weight of 716.89 g/mol, XLogP of 12.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine is sourced from PubChem (CID 166568749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).