1-benzyl-6-[1-[(3-thiophen-3-ylphenyl)methyl]indol-6-yl]indole

C34H26N2S — CID 56851772

IUPAC1-benzyl-6-[1-[(3-thiophen-3-ylphenyl)methyl]indol-6-yl]indole
SMILESc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(-c7ccsc7)c6)c5c4)cc32)cc1
InChIInChI=1S/C34H26N2S/c1-2-5-25(6-3-1)22-35-16-13-27-9-11-30(20-33(27)35)31-12-10-28-14-17-36(34(28)21-31)23-26-7-4-8-29(19-26)32-15-18-37-24-32/h1-21,24H,22-23H2
InChIKeyZIZDTUYHDCFKFC-UHFFFAOYSA-N
MW494.66 g/mol
LogP9.09
Rot. Bonds6

About 1-benzyl-6-[1-[(3-thiophen-3-ylphenyl)methyl]indol-6-yl]indole

1-benzyl-6-[1-[(3-thiophen-3-ylphenyl)methyl]indol-6-yl]indole (PubChem CID 56851772) has the molecular formula C34H26N2S and a molecular weight of 494.66 g/mol. Its IUPAC name is 1-benzyl-6-[1-[(3-thiophen-3-ylphenyl)methyl]indol-6-yl]indole.

Molecular Properties

Compound Name1-benzyl-6-[1-[(3-thiophen-3-ylphenyl)methyl]indol-6-yl]indole
PubChem CID56851772
Molecular FormulaC34H26N2S
Molecular Weight494.66 g/mol
Exact Mass494.18
IUPAC Name1-benzyl-6-[1-[(3-thiophen-3-ylphenyl)methyl]indol-6-yl]indole
SMILESc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(-c7ccsc7)c6)c5c4)cc32)cc1
InChIInChI=1S/C34H26N2S/c1-2-5-25(6-3-1)22-35-16-13-27-9-11-30(20-33(27)35)31-12-10-28-14-17-36(34(28)21-31)23-26-7-4-8-29(19-26)32-15-18-37-24-32/h1-21,24H,22-23H2
InChIKeyZIZDTUYHDCFKFC-UHFFFAOYSA-N
XLogP9.09
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.66
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-6-[1-[(3-thiophen-3-ylphenyl)methyl]indol-6-yl]indole 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 1-benzyl-6-[1-[(3-thiophen-3-ylphenyl)methyl]indol-6-yl]indole?
The IUPAC name of 1-benzyl-6-[1-[(3-thiophen-3-ylphenyl)methyl]indol-6-yl]indole (CID 56851772) is 1-benzyl-6-[1-[(3-thiophen-3-ylphenyl)methyl]indol-6-yl]indole.
What is the SMILES notation for 1-benzyl-6-[1-[(3-thiophen-3-ylphenyl)methyl]indol-6-yl]indole?
The canonical SMILES for 1-benzyl-6-[1-[(3-thiophen-3-ylphenyl)methyl]indol-6-yl]indole is c1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(-c7ccsc7)c6)c5c4)cc32)cc1.
What is the InChIKey of 1-benzyl-6-[1-[(3-thiophen-3-ylphenyl)methyl]indol-6-yl]indole?
The InChIKey is ZIZDTUYHDCFKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2S/c1-2-5-25(6-3-1)22-35-16-13-27-9-11-30(20-33(27)35)31-12-10-28-14-17-36(34(28)21-31)23-26-7-4-8-29(19-26)32-15-18-37-24-32/h1-21,24H,22-23H2.
What are the key properties of 1-benzyl-6-[1-[(3-thiophen-3-ylphenyl)methyl]indol-6-yl]indole?
1-benzyl-6-[1-[(3-thiophen-3-ylphenyl)methyl]indol-6-yl]indole has a molecular weight of 494.66 g/mol, XLogP of 9.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-[1-[(3-thiophen-3-ylphenyl)methyl]indol-6-yl]indole is sourced from PubChem (CID 56851772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).