3-[[5-(3-chloro-4-methylphenyl)furan-2-yl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole

C30H25ClN2O — CID 26366522

IUPAC3-[[5-(3-chloro-4-methylphenyl)furan-2-yl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
SMILESCc1ccc(-c2ccc(C(c3c(C)[nH]c4ccccc34)c3c(C)[nH]c4ccccc34)o2)cc1Cl
InChIInChI=1S/C30H25ClN2O/c1-17-12-13-20(16-23(17)31)26-14-15-27(34-26)30(28-18(2)32-24-10-6-4-8-21(24)28)29-19(3)33-25-11-7-5-9-22(25)29/h4-16,30,32-33H,1-3H3
InChIKeyLPWTYGKEJOKPJM-UHFFFAOYSA-N
MW465.00 g/mol
LogP8.67
Rot. Bonds4

About 3-[[5-(3-chloro-4-methylphenyl)furan-2-yl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole

3-[[5-(3-chloro-4-methylphenyl)furan-2-yl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole (PubChem CID 26366522) has the molecular formula C30H25ClN2O and a molecular weight of 465.00 g/mol. Its IUPAC name is 3-[[5-(3-chloro-4-methylphenyl)furan-2-yl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[[5-(3-chloro-4-methylphenyl)furan-2-yl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
PubChem CID26366522
Molecular FormulaC30H25ClN2O
Molecular Weight465.00 g/mol
Exact Mass464.17
IUPAC Name3-[[5-(3-chloro-4-methylphenyl)furan-2-yl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
SMILESCc1ccc(-c2ccc(C(c3c(C)[nH]c4ccccc34)c3c(C)[nH]c4ccccc34)o2)cc1Cl
InChIInChI=1S/C30H25ClN2O/c1-17-12-13-20(16-23(17)31)26-14-15-27(34-26)30(28-18(2)32-24-10-6-4-8-21(24)28)29-19(3)33-25-11-7-5-9-22(25)29/h4-16,30,32-33H,1-3H3
InChIKeyLPWTYGKEJOKPJM-UHFFFAOYSA-N
XLogP8.67
TPSA44.72 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.00
LogP ≤ 58.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-chloro-4-methylphenyl)furan-2-yl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
The IUPAC name of 3-[[5-(3-chloro-4-methylphenyl)furan-2-yl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole (CID 26366522) is 3-[[5-(3-chloro-4-methylphenyl)furan-2-yl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole.
What is the SMILES notation for 3-[[5-(3-chloro-4-methylphenyl)furan-2-yl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
The canonical SMILES for 3-[[5-(3-chloro-4-methylphenyl)furan-2-yl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole is Cc1ccc(-c2ccc(C(c3c(C)[nH]c4ccccc34)c3c(C)[nH]c4ccccc34)o2)cc1Cl.
What is the InChIKey of 3-[[5-(3-chloro-4-methylphenyl)furan-2-yl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
The InChIKey is LPWTYGKEJOKPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClN2O/c1-17-12-13-20(16-23(17)31)26-14-15-27(34-26)30(28-18(2)32-24-10-6-4-8-21(24)28)29-19(3)33-25-11-7-5-9-22(25)29/h4-16,30,32-33H,1-3H3.
What are the key properties of 3-[[5-(3-chloro-4-methylphenyl)furan-2-yl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
3-[[5-(3-chloro-4-methylphenyl)furan-2-yl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole has a molecular weight of 465.00 g/mol, XLogP of 8.67, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-chloro-4-methylphenyl)furan-2-yl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole is sourced from PubChem (CID 26366522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).