6-[3-(3-chloroanilino)-2,3-dihydro-1H-inden-5-yl]-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine

C30H26Cl2N2 — CID 90851114

IUPAC6-[3-(3-chloroanilino)-2,3-dihydro-1H-inden-5-yl]-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESClc1cccc(NC2CCc3ccc(-c4ccc5c(c4)C(Nc4cccc(Cl)c4)CC5)cc32)c1
InChIInChI=1S/C30H26Cl2N2/c31-23-3-1-5-25(17-23)33-29-13-11-19-7-9-21(15-27(19)29)22-10-8-20-12-14-30(28(20)16-22)34-26-6-2-4-24(32)18-26/h1-10,15-18,29-30,33-34H,11-14H2
InChIKeyVDOOBJGZIAFMMS-UHFFFAOYSA-N
MW485.46 g/mol
LogP8.86
Rot. Bonds5

About 6-[3-(3-chloroanilino)-2,3-dihydro-1H-inden-5-yl]-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine

6-[3-(3-chloroanilino)-2,3-dihydro-1H-inden-5-yl]-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 90851114) has the molecular formula C30H26Cl2N2 and a molecular weight of 485.46 g/mol. Its IUPAC name is 6-[3-(3-chloroanilino)-2,3-dihydro-1H-inden-5-yl]-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-[3-(3-chloroanilino)-2,3-dihydro-1H-inden-5-yl]-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID90851114
Molecular FormulaC30H26Cl2N2
Molecular Weight485.46 g/mol
Exact Mass484.15
IUPAC Name6-[3-(3-chloroanilino)-2,3-dihydro-1H-inden-5-yl]-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESClc1cccc(NC2CCc3ccc(-c4ccc5c(c4)C(Nc4cccc(Cl)c4)CC5)cc32)c1
InChIInChI=1S/C30H26Cl2N2/c31-23-3-1-5-25(17-23)33-29-13-11-19-7-9-21(15-27(19)29)22-10-8-20-12-14-30(28(20)16-22)34-26-6-2-4-24(32)18-26/h1-10,15-18,29-30,33-34H,11-14H2
InChIKeyVDOOBJGZIAFMMS-UHFFFAOYSA-N
XLogP8.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.46
LogP ≤ 58.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-[3-(3-chloroanilino)-2,3-dihydro-1H-inden-5-yl]-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-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 6-[3-(3-chloroanilino)-2,3-dihydro-1H-inden-5-yl]-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-[3-(3-chloroanilino)-2,3-dihydro-1H-inden-5-yl]-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine (CID 90851114) is 6-[3-(3-chloroanilino)-2,3-dihydro-1H-inden-5-yl]-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-[3-(3-chloroanilino)-2,3-dihydro-1H-inden-5-yl]-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-[3-(3-chloroanilino)-2,3-dihydro-1H-inden-5-yl]-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine is Clc1cccc(NC2CCc3ccc(-c4ccc5c(c4)C(Nc4cccc(Cl)c4)CC5)cc32)c1.
What is the InChIKey of 6-[3-(3-chloroanilino)-2,3-dihydro-1H-inden-5-yl]-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is VDOOBJGZIAFMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Cl2N2/c31-23-3-1-5-25(17-23)33-29-13-11-19-7-9-21(15-27(19)29)22-10-8-20-12-14-30(28(20)16-22)34-26-6-2-4-24(32)18-26/h1-10,15-18,29-30,33-34H,11-14H2.
What are the key properties of 6-[3-(3-chloroanilino)-2,3-dihydro-1H-inden-5-yl]-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine?
6-[3-(3-chloroanilino)-2,3-dihydro-1H-inden-5-yl]-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 485.46 g/mol, XLogP of 8.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-chloroanilino)-2,3-dihydro-1H-inden-5-yl]-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 90851114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).