N-(2,2-diphenylethenyl)-4-[(E)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline

C41H37N3 — CID 131994994

IUPACN-(2,2-diphenylethenyl)-4-[(E)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline
SMILESCC1=CC=C(N(C=C(c2ccccc2)c2ccccc2)c2ccc(/C=N/N(c3ccccc3)c3ccccc3)c(C)c2)CC1
InChIInChI=1S/C41H37N3/c1-32-23-26-37(27-24-32)43(31-41(34-15-7-3-8-16-34)35-17-9-4-10-18-35)40-28-25-36(33(2)29-40)30-42-44(38-19-11-5-12-20-38)39-21-13-6-14-22-39/h3-23,25-26,28-31H,24,27H2,1-2H3/b42-30+
InChIKeyGXTZPZZHKTXSGA-OJZPPULMSA-N
MW571.77 g/mol
LogP10.69
Rot. Bonds9

About N-(2,2-diphenylethenyl)-4-[(E)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline

N-(2,2-diphenylethenyl)-4-[(E)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline (PubChem CID 131994994) has the molecular formula C41H37N3 and a molecular weight of 571.77 g/mol. Its IUPAC name is N-(2,2-diphenylethenyl)-4-[(E)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline.

Molecular Properties

Compound NameN-(2,2-diphenylethenyl)-4-[(E)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline
PubChem CID131994994
Molecular FormulaC41H37N3
Molecular Weight571.77 g/mol
Exact Mass571.30
IUPAC NameN-(2,2-diphenylethenyl)-4-[(E)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline
SMILESCC1=CC=C(N(C=C(c2ccccc2)c2ccccc2)c2ccc(/C=N/N(c3ccccc3)c3ccccc3)c(C)c2)CC1
InChIInChI=1S/C41H37N3/c1-32-23-26-37(27-24-32)43(31-41(34-15-7-3-8-16-34)35-17-9-4-10-18-35)40-28-25-36(33(2)29-40)30-42-44(38-19-11-5-12-20-38)39-21-13-6-14-22-39/h3-23,25-26,28-31H,24,27H2,1-2H3/b42-30+
InChIKeyGXTZPZZHKTXSGA-OJZPPULMSA-N
XLogP10.69
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.77
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenone(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethenyl)-4-[(E)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline?
The IUPAC name of N-(2,2-diphenylethenyl)-4-[(E)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline (CID 131994994) is N-(2,2-diphenylethenyl)-4-[(E)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline.
What is the SMILES notation for N-(2,2-diphenylethenyl)-4-[(E)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline?
The canonical SMILES for N-(2,2-diphenylethenyl)-4-[(E)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline is CC1=CC=C(N(C=C(c2ccccc2)c2ccccc2)c2ccc(/C=N/N(c3ccccc3)c3ccccc3)c(C)c2)CC1.
What is the InChIKey of N-(2,2-diphenylethenyl)-4-[(E)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline?
The InChIKey is GXTZPZZHKTXSGA-OJZPPULMSA-N. The full InChI is InChI=1S/C41H37N3/c1-32-23-26-37(27-24-32)43(31-41(34-15-7-3-8-16-34)35-17-9-4-10-18-35)40-28-25-36(33(2)29-40)30-42-44(38-19-11-5-12-20-38)39-21-13-6-14-22-39/h3-23,25-26,28-31H,24,27H2,1-2H3/b42-30+.
What are the key properties of N-(2,2-diphenylethenyl)-4-[(E)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline?
N-(2,2-diphenylethenyl)-4-[(E)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline has a molecular weight of 571.77 g/mol, XLogP of 10.69, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethenyl)-4-[(E)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline is sourced from PubChem (CID 131994994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).