(Z)-3-[3-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]phenyl]-1-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)prop-2-en-1-imine

C44H37N — CID 144746179

IUPAC(Z)-3-[3-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]phenyl]-1-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)prop-2-en-1-imine
SMILES[H]/N=C(/C=C(/c1cccc(CCC2=C(C)CCC=C2)c1)c1cccc(-c2cccc3ccccc23)c1)c1cccc2ccccc12
InChIInChI=1S/C44H37N/c1-31-12-2-3-14-33(31)27-26-32-13-8-19-36(28-32)43(30-44(45)42-25-11-18-35-16-5-7-23-40(35)42)38-21-9-20-37(29-38)41-24-10-17-34-15-4-6-22-39(34)41/h3-11,13-25,28-30,45H,2,12,26-27H2,1H3/b43-30-,45-44-
InChIKeyWHZGGGHVKHBIRK-JGRKBKPLSA-N
MW579.79 g/mol
LogP11.76
Rot. Bonds8

About (Z)-3-[3-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]phenyl]-1-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)prop-2-en-1-imine

(Z)-3-[3-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]phenyl]-1-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)prop-2-en-1-imine (PubChem CID 144746179) has the molecular formula C44H37N and a molecular weight of 579.79 g/mol. Its IUPAC name is (Z)-3-[3-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]phenyl]-1-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-[3-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]phenyl]-1-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)prop-2-en-1-imine
PubChem CID144746179
Molecular FormulaC44H37N
Molecular Weight579.79 g/mol
Exact Mass579.29
IUPAC Name(Z)-3-[3-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]phenyl]-1-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)prop-2-en-1-imine
SMILES[H]/N=C(/C=C(/c1cccc(CCC2=C(C)CCC=C2)c1)c1cccc(-c2cccc3ccccc23)c1)c1cccc2ccccc12
InChIInChI=1S/C44H37N/c1-31-12-2-3-14-33(31)27-26-32-13-8-19-36(28-32)43(30-44(45)42-25-11-18-35-16-5-7-23-40(35)42)38-21-9-20-37(29-38)41-24-10-17-34-15-4-6-22-39(34)41/h3-11,13-25,28-30,45H,2,12,26-27H2,1H3/b43-30-,45-44-
InChIKeyWHZGGGHVKHBIRK-JGRKBKPLSA-N
XLogP11.76
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.79
LogP ≤ 511.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-3-[3-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]phenyl]-1-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)prop-2-en-1-imine with MolForge

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Related Compounds

1-[(3Z)-4-[3-[(2E,4E)-6-cyclohexa-1,3-dien-1-yl-2-phenylhepta-2,4-dien-4-yl]phenyl]-4-(2-methyl-5-naphthalen-1-ylphenyl)buta-1,3-dien-2-yl]naphthalene
CID 144745995
(Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine
CID 166569028
ethane;(Z)-3-[3-[3-(10-methyltriphenylen-2-yl)-5-phenylphenyl]phenyl]-1,3-diphenylprop-2-en-1-imine
CID 144803315
(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
1-[(3Z)-4-[3-[(2E,4E)-6-cyclohexa-1,3-dien-1-yl-2-phenylhepta-2,4-dien-4-yl]phenyl]-4-(2-methyl-5-naphthalen-1-ylphenyl)buta-1,3-dien-2-yl]naphthalene;ethane;methane
CID 144745994
1-naphthalen-1-ylethane-1,2-diimine
CID 54333687
[3,3-dimethyl-2-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3-naphthalen-1-ylphenyl)methanimine
CID 144816205
(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
2-(2-methylphenyl)-4,6-bis(3-naphthalen-1-ylphenyl)pyrimidine
CID 123694324
1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine
CID 129256978

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]phenyl]-1-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)prop-2-en-1-imine?
The IUPAC name of (Z)-3-[3-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]phenyl]-1-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)prop-2-en-1-imine (CID 144746179) is (Z)-3-[3-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]phenyl]-1-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)prop-2-en-1-imine.
What is the SMILES notation for (Z)-3-[3-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]phenyl]-1-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)prop-2-en-1-imine?
The canonical SMILES for (Z)-3-[3-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]phenyl]-1-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)prop-2-en-1-imine is [H]/N=C(/C=C(/c1cccc(CCC2=C(C)CCC=C2)c1)c1cccc(-c2cccc3ccccc23)c1)c1cccc2ccccc12.
What is the InChIKey of (Z)-3-[3-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]phenyl]-1-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)prop-2-en-1-imine?
The InChIKey is WHZGGGHVKHBIRK-JGRKBKPLSA-N. The full InChI is InChI=1S/C44H37N/c1-31-12-2-3-14-33(31)27-26-32-13-8-19-36(28-32)43(30-44(45)42-25-11-18-35-16-5-7-23-40(35)42)38-21-9-20-37(29-38)41-24-10-17-34-15-4-6-22-39(34)41/h3-11,13-25,28-30,45H,2,12,26-27H2,1H3/b43-30-,45-44-.
What are the key properties of (Z)-3-[3-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]phenyl]-1-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)prop-2-en-1-imine?
(Z)-3-[3-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]phenyl]-1-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)prop-2-en-1-imine has a molecular weight of 579.79 g/mol, XLogP of 11.76, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]phenyl]-1-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)prop-2-en-1-imine is sourced from PubChem (CID 144746179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).