2-[4-phenyl-5-[phenyl-[2-[[3-(3-pyridin-2-ylfuran-2-yl)-1-benzofuran-2-yl]sulfanyl]phenyl]methyl]sulfanyl-1H-pyrrol-3-yl]quinoline

C49H33N3O2S2 — CID 91327227

IUPAC2-[4-phenyl-5-[phenyl-[2-[[3-(3-pyridin-2-ylfuran-2-yl)-1-benzofuran-2-yl]sulfanyl]phenyl]methyl]sulfanyl-1H-pyrrol-3-yl]quinoline
SMILESc1ccc(-c2c(-c3ccc4ccccc4n3)c[nH]c2SC(c2ccccc2)c2ccccc2Sc2oc3ccccc3c2-c2occc2-c2ccccn2)cc1
InChIInChI=1S/C49H33N3O2S2/c1-3-16-33(17-4-1)44-38(41-27-26-32-15-7-10-22-39(32)52-41)31-51-48(44)56-47(34-18-5-2-6-19-34)37-21-9-12-25-43(37)55-49-45(36-20-8-11-24-42(36)54-49)46-35(28-30-53-46)40-23-13-14-29-50-40/h1-31,47,51H
InChIKeyNUUIZRABARBNGS-UHFFFAOYSA-N
MW759.96 g/mol
LogP14.00
Rot. Bonds10

About 2-[4-phenyl-5-[phenyl-[2-[[3-(3-pyridin-2-ylfuran-2-yl)-1-benzofuran-2-yl]sulfanyl]phenyl]methyl]sulfanyl-1H-pyrrol-3-yl]quinoline

2-[4-phenyl-5-[phenyl-[2-[[3-(3-pyridin-2-ylfuran-2-yl)-1-benzofuran-2-yl]sulfanyl]phenyl]methyl]sulfanyl-1H-pyrrol-3-yl]quinoline (PubChem CID 91327227) has the molecular formula C49H33N3O2S2 and a molecular weight of 759.96 g/mol. Its IUPAC name is 2-[4-phenyl-5-[phenyl-[2-[[3-(3-pyridin-2-ylfuran-2-yl)-1-benzofuran-2-yl]sulfanyl]phenyl]methyl]sulfanyl-1H-pyrrol-3-yl]quinoline.

Molecular Properties

Compound Name2-[4-phenyl-5-[phenyl-[2-[[3-(3-pyridin-2-ylfuran-2-yl)-1-benzofuran-2-yl]sulfanyl]phenyl]methyl]sulfanyl-1H-pyrrol-3-yl]quinoline
PubChem CID91327227
Molecular FormulaC49H33N3O2S2
Molecular Weight759.96 g/mol
Exact Mass759.20
IUPAC Name2-[4-phenyl-5-[phenyl-[2-[[3-(3-pyridin-2-ylfuran-2-yl)-1-benzofuran-2-yl]sulfanyl]phenyl]methyl]sulfanyl-1H-pyrrol-3-yl]quinoline
SMILESc1ccc(-c2c(-c3ccc4ccccc4n3)c[nH]c2SC(c2ccccc2)c2ccccc2Sc2oc3ccccc3c2-c2occc2-c2ccccn2)cc1
InChIInChI=1S/C49H33N3O2S2/c1-3-16-33(17-4-1)44-38(41-27-26-32-15-7-10-22-39(32)52-41)31-51-48(44)56-47(34-18-5-2-6-19-34)37-21-9-12-25-43(37)55-49-45(36-20-8-11-24-42(36)54-49)46-35(28-30-53-46)40-23-13-14-29-50-40/h1-31,47,51H
InChIKeyNUUIZRABARBNGS-UHFFFAOYSA-N
XLogP14.00
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.96
LogP ≤ 514.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-phenyl-5-[phenyl-[2-[[3-(3-pyridin-2-ylfuran-2-yl)-1-benzofuran-2-yl]sulfanyl]phenyl]methyl]sulfanyl-1H-pyrrol-3-yl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[2-[2-[2-[4-(furan-2-yl)-3-thiophen-2-yl-1H-pyrrol-2-yl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
CID 91399156
2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
CID 123289308
1-[2-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-5-quinolin-2-yl-6-thiophen-2-yl-1-benzofuran-4-yl]isoquinoline
CID 141099120
2-[5-(1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(1H-indol-2-yl)-6-phenyl-2-pyridinyl]-1,3-thiazole
CID 141145270
5-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-3-(2-benzothiophen-1-yl)-1-indolizin-1-yl-2H-isoindole
CID 141360527

Frequently Asked Questions

What is the IUPAC name of 2-[4-phenyl-5-[phenyl-[2-[[3-(3-pyridin-2-ylfuran-2-yl)-1-benzofuran-2-yl]sulfanyl]phenyl]methyl]sulfanyl-1H-pyrrol-3-yl]quinoline?
The IUPAC name of 2-[4-phenyl-5-[phenyl-[2-[[3-(3-pyridin-2-ylfuran-2-yl)-1-benzofuran-2-yl]sulfanyl]phenyl]methyl]sulfanyl-1H-pyrrol-3-yl]quinoline (CID 91327227) is 2-[4-phenyl-5-[phenyl-[2-[[3-(3-pyridin-2-ylfuran-2-yl)-1-benzofuran-2-yl]sulfanyl]phenyl]methyl]sulfanyl-1H-pyrrol-3-yl]quinoline.
What is the SMILES notation for 2-[4-phenyl-5-[phenyl-[2-[[3-(3-pyridin-2-ylfuran-2-yl)-1-benzofuran-2-yl]sulfanyl]phenyl]methyl]sulfanyl-1H-pyrrol-3-yl]quinoline?
The canonical SMILES for 2-[4-phenyl-5-[phenyl-[2-[[3-(3-pyridin-2-ylfuran-2-yl)-1-benzofuran-2-yl]sulfanyl]phenyl]methyl]sulfanyl-1H-pyrrol-3-yl]quinoline is c1ccc(-c2c(-c3ccc4ccccc4n3)c[nH]c2SC(c2ccccc2)c2ccccc2Sc2oc3ccccc3c2-c2occc2-c2ccccn2)cc1.
What is the InChIKey of 2-[4-phenyl-5-[phenyl-[2-[[3-(3-pyridin-2-ylfuran-2-yl)-1-benzofuran-2-yl]sulfanyl]phenyl]methyl]sulfanyl-1H-pyrrol-3-yl]quinoline?
The InChIKey is NUUIZRABARBNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3O2S2/c1-3-16-33(17-4-1)44-38(41-27-26-32-15-7-10-22-39(32)52-41)31-51-48(44)56-47(34-18-5-2-6-19-34)37-21-9-12-25-43(37)55-49-45(36-20-8-11-24-42(36)54-49)46-35(28-30-53-46)40-23-13-14-29-50-40/h1-31,47,51H.
What are the key properties of 2-[4-phenyl-5-[phenyl-[2-[[3-(3-pyridin-2-ylfuran-2-yl)-1-benzofuran-2-yl]sulfanyl]phenyl]methyl]sulfanyl-1H-pyrrol-3-yl]quinoline?
2-[4-phenyl-5-[phenyl-[2-[[3-(3-pyridin-2-ylfuran-2-yl)-1-benzofuran-2-yl]sulfanyl]phenyl]methyl]sulfanyl-1H-pyrrol-3-yl]quinoline has a molecular weight of 759.96 g/mol, XLogP of 14.00, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-phenyl-5-[phenyl-[2-[[3-(3-pyridin-2-ylfuran-2-yl)-1-benzofuran-2-yl]sulfanyl]phenyl]methyl]sulfanyl-1H-pyrrol-3-yl]quinoline is sourced from PubChem (CID 91327227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).