9-(4-chlorophenyl)-N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4a,9b-dihydrodibenzofuran-3-amine

C30H26ClNO — CID 138529892

IUPAC9-(4-chlorophenyl)-N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4a,9b-dihydrodibenzofuran-3-amine
SMILESClc1ccc(-c2cccc3c2C2C=CC(N(C4=CCCC=C4)C4C=CC=CC4)=CC2O3)cc1
InChIInChI=1S/C30H26ClNO/c31-22-16-14-21(15-17-22)26-12-7-13-28-30(26)27-19-18-25(20-29(27)33-28)32(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1,3-5,7-8,10-20,23,27,29H,2,6,9H2
InChIKeyOIZJAVUXEZNACO-UHFFFAOYSA-N
MW452.00 g/mol
LogP7.73
Rot. Bonds4

About 9-(4-chlorophenyl)-N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4a,9b-dihydrodibenzofuran-3-amine

9-(4-chlorophenyl)-N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4a,9b-dihydrodibenzofuran-3-amine (PubChem CID 138529892) has the molecular formula C30H26ClNO and a molecular weight of 452.00 g/mol. Its IUPAC name is 9-(4-chlorophenyl)-N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4a,9b-dihydrodibenzofuran-3-amine.

Molecular Properties

Compound Name9-(4-chlorophenyl)-N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4a,9b-dihydrodibenzofuran-3-amine
PubChem CID138529892
Molecular FormulaC30H26ClNO
Molecular Weight452.00 g/mol
Exact Mass451.17
IUPAC Name9-(4-chlorophenyl)-N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4a,9b-dihydrodibenzofuran-3-amine
SMILESClc1ccc(-c2cccc3c2C2C=CC(N(C4=CCCC=C4)C4C=CC=CC4)=CC2O3)cc1
InChIInChI=1S/C30H26ClNO/c31-22-16-14-21(15-17-22)26-12-7-13-28-30(26)27-19-18-25(20-29(27)33-28)32(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1,3-5,7-8,10-20,23,27,29H,2,6,9H2
InChIKeyOIZJAVUXEZNACO-UHFFFAOYSA-N
XLogP7.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.00
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(4-chlorophenyl)-N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4a,9b-dihydrodibenzofuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorophenyl)-N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4a,9b-dihydrodibenzofuran-3-amine?
The IUPAC name of 9-(4-chlorophenyl)-N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4a,9b-dihydrodibenzofuran-3-amine (CID 138529892) is 9-(4-chlorophenyl)-N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4a,9b-dihydrodibenzofuran-3-amine.
What is the SMILES notation for 9-(4-chlorophenyl)-N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4a,9b-dihydrodibenzofuran-3-amine?
The canonical SMILES for 9-(4-chlorophenyl)-N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4a,9b-dihydrodibenzofuran-3-amine is Clc1ccc(-c2cccc3c2C2C=CC(N(C4=CCCC=C4)C4C=CC=CC4)=CC2O3)cc1.
What is the InChIKey of 9-(4-chlorophenyl)-N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4a,9b-dihydrodibenzofuran-3-amine?
The InChIKey is OIZJAVUXEZNACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClNO/c31-22-16-14-21(15-17-22)26-12-7-13-28-30(26)27-19-18-25(20-29(27)33-28)32(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1,3-5,7-8,10-20,23,27,29H,2,6,9H2.
What are the key properties of 9-(4-chlorophenyl)-N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4a,9b-dihydrodibenzofuran-3-amine?
9-(4-chlorophenyl)-N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4a,9b-dihydrodibenzofuran-3-amine has a molecular weight of 452.00 g/mol, XLogP of 7.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)-N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4a,9b-dihydrodibenzofuran-3-amine is sourced from PubChem (CID 138529892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).