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

C52H36N4 — CID 166568902

IUPAC(Z)-3-[7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine
SMILES[H]/N=C(/C=C(/c1ccccc1)c1cccc2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc12)c1ccccc1
InChIInChI=1S/C52H36N4/c53-49(41-16-7-2-8-17-41)35-48(39-14-5-1-6-15-39)46-23-13-22-40-30-33-45(34-47(40)46)38-26-24-36(25-27-38)37-28-31-44(32-29-37)52-55-50(42-18-9-3-10-19-42)54-51(56-52)43-20-11-4-12-21-43/h1-35,53H/b48-35-,53-49-
InChIKeyRKJPTTUNRVVXTG-JGKNMGDHSA-N
MW716.89 g/mol
LogP12.86
Rot. Bonds9

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

(Z)-3-[7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine (PubChem CID 166568902) has the molecular formula C52H36N4 and a molecular weight of 716.89 g/mol. Its IUPAC name is (Z)-3-[7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-[7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine
PubChem CID166568902
Molecular FormulaC52H36N4
Molecular Weight716.89 g/mol
Exact Mass716.29
IUPAC Name(Z)-3-[7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine
SMILES[H]/N=C(/C=C(/c1ccccc1)c1cccc2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc12)c1ccccc1
InChIInChI=1S/C52H36N4/c53-49(41-16-7-2-8-17-41)35-48(39-14-5-1-6-15-39)46-23-13-22-40-30-33-45(34-47(40)46)38-26-24-36(25-27-38)37-28-31-44(32-29-37)52-55-50(42-18-9-3-10-19-42)54-51(56-52)43-20-11-4-12-21-43/h1-35,53H/b48-35-,53-49-
InChIKeyRKJPTTUNRVVXTG-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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Related Compounds

(Z)-1,3-diphenyl-3-[7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]prop-2-en-1-imine
CID 166569065
(Z)-3-[7-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine
CID 166568910
(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
(Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine
CID 166569028
(E)-1-[3-(3-naphtho[2,3-b][1]benzothiol-3-ylphenyl)phenyl]-3-phenyl-3-(4-phenylphenyl)prop-2-en-1-imine
CID 142294158
N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-(9-naphthalen-1-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazol-9-amine
CID 139309354
2-(4-phenanthren-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 122416295
2,4-diphenyl-6-[4-[7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 121258017
2-[4-[8-(3-isocyanophenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140848189
2,4-bis[4-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 166571194
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine
CID 145412713

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine?
The IUPAC name of (Z)-3-[7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine (CID 166568902) is (Z)-3-[7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine.
What is the SMILES notation for (Z)-3-[7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine?
The canonical SMILES for (Z)-3-[7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine is [H]/N=C(/C=C(/c1ccccc1)c1cccc2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc12)c1ccccc1.
What is the InChIKey of (Z)-3-[7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine?
The InChIKey is RKJPTTUNRVVXTG-JGKNMGDHSA-N. The full InChI is InChI=1S/C52H36N4/c53-49(41-16-7-2-8-17-41)35-48(39-14-5-1-6-15-39)46-23-13-22-40-30-33-45(34-47(40)46)38-26-24-36(25-27-38)37-28-31-44(32-29-37)52-55-50(42-18-9-3-10-19-42)54-51(56-52)43-20-11-4-12-21-43/h1-35,53H/b48-35-,53-49-.
What are the key properties of (Z)-3-[7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine?
(Z)-3-[7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine is sourced from PubChem (CID 166568902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).