N-(2-chlorophenyl)-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-imine

C35H24ClN — CID 53424493

IUPACN-(2-chlorophenyl)-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-imine
SMILESClc1ccccc1N=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C35H24ClN/c36-29-23-13-14-24-30(29)37-35-33(27-19-9-3-10-20-27)31(25-15-5-1-6-16-25)32(26-17-7-2-8-18-26)34(35)28-21-11-4-12-22-28/h1-24H
InChIKeyHGHQACZFHJKXJV-UHFFFAOYSA-N
MW494.04 g/mol
LogP9.65
Rot. Bonds5

About N-(2-chlorophenyl)-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-imine

N-(2-chlorophenyl)-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-imine (PubChem CID 53424493) has the molecular formula C35H24ClN and a molecular weight of 494.04 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-imine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-imine
PubChem CID53424493
Molecular FormulaC35H24ClN
Molecular Weight494.04 g/mol
Exact Mass493.16
IUPAC NameN-(2-chlorophenyl)-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-imine
SMILESClc1ccccc1N=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C35H24ClN/c36-29-23-13-14-24-30(29)37-35-33(27-19-9-3-10-20-27)31(25-15-5-1-6-16-25)32(26-17-7-2-8-18-26)34(35)28-21-11-4-12-22-28/h1-24H
InChIKeyHGHQACZFHJKXJV-UHFFFAOYSA-N
XLogP9.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.04
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-imine?
The IUPAC name of N-(2-chlorophenyl)-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-imine (CID 53424493) is N-(2-chlorophenyl)-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-imine.
What is the SMILES notation for N-(2-chlorophenyl)-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-imine?
The canonical SMILES for N-(2-chlorophenyl)-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-imine is Clc1ccccc1N=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of N-(2-chlorophenyl)-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-imine?
The InChIKey is HGHQACZFHJKXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24ClN/c36-29-23-13-14-24-30(29)37-35-33(27-19-9-3-10-20-27)31(25-15-5-1-6-16-25)32(26-17-7-2-8-18-26)34(35)28-21-11-4-12-22-28/h1-24H.
What are the key properties of N-(2-chlorophenyl)-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-imine?
N-(2-chlorophenyl)-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-imine has a molecular weight of 494.04 g/mol, XLogP of 9.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-imine is sourced from PubChem (CID 53424493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).