1-benzyl-2-phenyl-3-[5-(2-phenyl-1-benzofuran-3-yl)thiophen-2-yl]indole

C39H27NOS — CID 101397273

IUPAC1-benzyl-2-phenyl-3-[5-(2-phenyl-1-benzofuran-3-yl)thiophen-2-yl]indole
SMILESc1ccc(Cn2c(-c3ccccc3)c(-c3ccc(-c4c(-c5ccccc5)oc5ccccc45)s3)c3ccccc32)cc1
InChIInChI=1S/C39H27NOS/c1-4-14-27(15-5-1)26-40-32-22-12-10-20-30(32)36(38(40)28-16-6-2-7-17-28)34-24-25-35(42-34)37-31-21-11-13-23-33(31)41-39(37)29-18-8-3-9-19-29/h1-25H,26H2
InChIKeyDFWWBHDLLCOQLT-UHFFFAOYSA-N
MW557.72 g/mol
LogP11.17
Rot. Bonds6

About 1-benzyl-2-phenyl-3-[5-(2-phenyl-1-benzofuran-3-yl)thiophen-2-yl]indole

1-benzyl-2-phenyl-3-[5-(2-phenyl-1-benzofuran-3-yl)thiophen-2-yl]indole (PubChem CID 101397273) has the molecular formula C39H27NOS and a molecular weight of 557.72 g/mol. Its IUPAC name is 1-benzyl-2-phenyl-3-[5-(2-phenyl-1-benzofuran-3-yl)thiophen-2-yl]indole.

Molecular Properties

Compound Name1-benzyl-2-phenyl-3-[5-(2-phenyl-1-benzofuran-3-yl)thiophen-2-yl]indole
PubChem CID101397273
Molecular FormulaC39H27NOS
Molecular Weight557.72 g/mol
Exact Mass557.18
IUPAC Name1-benzyl-2-phenyl-3-[5-(2-phenyl-1-benzofuran-3-yl)thiophen-2-yl]indole
SMILESc1ccc(Cn2c(-c3ccccc3)c(-c3ccc(-c4c(-c5ccccc5)oc5ccccc45)s3)c3ccccc32)cc1
InChIInChI=1S/C39H27NOS/c1-4-14-27(15-5-1)26-40-32-22-12-10-20-30(32)36(38(40)28-16-6-2-7-17-28)34-24-25-35(42-34)37-31-21-11-13-23-33(31)41-39(37)29-18-8-3-9-19-29/h1-25H,26H2
InChIKeyDFWWBHDLLCOQLT-UHFFFAOYSA-N
XLogP11.17
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.72
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 102518263
2-(1-benzyl-2-phenylindol-3-yl)quinoline
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5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione
CID 101168915
2-thiophen-2-yl-3-[5-(2-thiophen-2-yl-1-benzofuran-3-yl)thiophen-2-yl]-1-benzofuran
CID 86235074
2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid
CID 70599531
4-[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]phenol
CID 139612412
1-benzyl-3,1-benzoxazine-2,4-dione
CID 520756
1-(2-phenyl-1-benzofuran-3-yl)-3-(2-phenylphenyl)-2-benzofuran
CID 156552693
1-benzyl-2-phenylquinoline-4-thione
CID 11381842
1-benzyl-3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-1-ium
CID 71726679
1-benzylindole-2,3-diamine
CID 142192316

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-phenyl-3-[5-(2-phenyl-1-benzofuran-3-yl)thiophen-2-yl]indole?
The IUPAC name of 1-benzyl-2-phenyl-3-[5-(2-phenyl-1-benzofuran-3-yl)thiophen-2-yl]indole (CID 101397273) is 1-benzyl-2-phenyl-3-[5-(2-phenyl-1-benzofuran-3-yl)thiophen-2-yl]indole.
What is the SMILES notation for 1-benzyl-2-phenyl-3-[5-(2-phenyl-1-benzofuran-3-yl)thiophen-2-yl]indole?
The canonical SMILES for 1-benzyl-2-phenyl-3-[5-(2-phenyl-1-benzofuran-3-yl)thiophen-2-yl]indole is c1ccc(Cn2c(-c3ccccc3)c(-c3ccc(-c4c(-c5ccccc5)oc5ccccc45)s3)c3ccccc32)cc1.
What is the InChIKey of 1-benzyl-2-phenyl-3-[5-(2-phenyl-1-benzofuran-3-yl)thiophen-2-yl]indole?
The InChIKey is DFWWBHDLLCOQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27NOS/c1-4-14-27(15-5-1)26-40-32-22-12-10-20-30(32)36(38(40)28-16-6-2-7-17-28)34-24-25-35(42-34)37-31-21-11-13-23-33(31)41-39(37)29-18-8-3-9-19-29/h1-25H,26H2.
What are the key properties of 1-benzyl-2-phenyl-3-[5-(2-phenyl-1-benzofuran-3-yl)thiophen-2-yl]indole?
1-benzyl-2-phenyl-3-[5-(2-phenyl-1-benzofuran-3-yl)thiophen-2-yl]indole has a molecular weight of 557.72 g/mol, XLogP of 11.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-phenyl-3-[5-(2-phenyl-1-benzofuran-3-yl)thiophen-2-yl]indole is sourced from PubChem (CID 101397273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).