2-[(R)-(2-methoxyphenyl)-(1H-pyrrol-2-yl)-thiophen-3-ylmethyl]-3-phenyl-1H-indole

C30H24N2OS — CID 156785953

IUPAC2-[(R)-(2-methoxyphenyl)-(1H-pyrrol-2-yl)-thiophen-3-ylmethyl]-3-phenyl-1H-indole
SMILESCOc1ccccc1[C@@](c1ccsc1)(c1ccc[nH]1)c1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C30H24N2OS/c1-33-26-15-8-6-13-24(26)30(22-17-19-34-20-22,27-16-9-18-31-27)29-28(21-10-3-2-4-11-21)23-12-5-7-14-25(23)32-29/h2-20,31-32H,1H3/t30-/m0/s1
InChIKeyXSDDWCLMJTWZNJ-PMERELPUSA-N
MW460.60 g/mol
LogP7.62
Rot. Bonds6

About 2-[(R)-(2-methoxyphenyl)-(1H-pyrrol-2-yl)-thiophen-3-ylmethyl]-3-phenyl-1H-indole

2-[(R)-(2-methoxyphenyl)-(1H-pyrrol-2-yl)-thiophen-3-ylmethyl]-3-phenyl-1H-indole (PubChem CID 156785953) has the molecular formula C30H24N2OS and a molecular weight of 460.60 g/mol. Its IUPAC name is 2-[(R)-(2-methoxyphenyl)-(1H-pyrrol-2-yl)-thiophen-3-ylmethyl]-3-phenyl-1H-indole.

Molecular Properties

Compound Name2-[(R)-(2-methoxyphenyl)-(1H-pyrrol-2-yl)-thiophen-3-ylmethyl]-3-phenyl-1H-indole
PubChem CID156785953
Molecular FormulaC30H24N2OS
Molecular Weight460.60 g/mol
Exact Mass460.16
IUPAC Name2-[(R)-(2-methoxyphenyl)-(1H-pyrrol-2-yl)-thiophen-3-ylmethyl]-3-phenyl-1H-indole
SMILESCOc1ccccc1[C@@](c1ccsc1)(c1ccc[nH]1)c1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C30H24N2OS/c1-33-26-15-8-6-13-24(26)30(22-17-19-34-20-22,27-16-9-18-31-27)29-28(21-10-3-2-4-11-21)23-12-5-7-14-25(23)32-29/h2-20,31-32H,1H3/t30-/m0/s1
InChIKeyXSDDWCLMJTWZNJ-PMERELPUSA-N
XLogP7.62
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.60
LogP ≤ 57.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(2-methoxyphenyl)-(1H-pyrrol-2-yl)-thiophen-3-ylmethyl]-3-phenyl-1H-indole?
The IUPAC name of 2-[(R)-(2-methoxyphenyl)-(1H-pyrrol-2-yl)-thiophen-3-ylmethyl]-3-phenyl-1H-indole (CID 156785953) is 2-[(R)-(2-methoxyphenyl)-(1H-pyrrol-2-yl)-thiophen-3-ylmethyl]-3-phenyl-1H-indole.
What is the SMILES notation for 2-[(R)-(2-methoxyphenyl)-(1H-pyrrol-2-yl)-thiophen-3-ylmethyl]-3-phenyl-1H-indole?
The canonical SMILES for 2-[(R)-(2-methoxyphenyl)-(1H-pyrrol-2-yl)-thiophen-3-ylmethyl]-3-phenyl-1H-indole is COc1ccccc1[C@@](c1ccsc1)(c1ccc[nH]1)c1[nH]c2ccccc2c1-c1ccccc1.
What is the InChIKey of 2-[(R)-(2-methoxyphenyl)-(1H-pyrrol-2-yl)-thiophen-3-ylmethyl]-3-phenyl-1H-indole?
The InChIKey is XSDDWCLMJTWZNJ-PMERELPUSA-N. The full InChI is InChI=1S/C30H24N2OS/c1-33-26-15-8-6-13-24(26)30(22-17-19-34-20-22,27-16-9-18-31-27)29-28(21-10-3-2-4-11-21)23-12-5-7-14-25(23)32-29/h2-20,31-32H,1H3/t30-/m0/s1.
What are the key properties of 2-[(R)-(2-methoxyphenyl)-(1H-pyrrol-2-yl)-thiophen-3-ylmethyl]-3-phenyl-1H-indole?
2-[(R)-(2-methoxyphenyl)-(1H-pyrrol-2-yl)-thiophen-3-ylmethyl]-3-phenyl-1H-indole has a molecular weight of 460.60 g/mol, XLogP of 7.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(2-methoxyphenyl)-(1H-pyrrol-2-yl)-thiophen-3-ylmethyl]-3-phenyl-1H-indole is sourced from PubChem (CID 156785953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).