2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)-4-phenylfuro[2,3-c]pyridine

C35H27NOS — CID 153444945

IUPAC2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)-4-phenylfuro[2,3-c]pyridine
SMILESCc1cc(C)cc(-c2ncc(-c3ccccc3)c3cc(-c4c(C)cc5c(sc6ccccc65)c4C)oc23)c1
InChIInChI=1S/C35H27NOS/c1-20-14-21(2)16-25(15-20)33-34-27(29(19-36-33)24-10-6-5-7-11-24)18-30(37-34)32-22(3)17-28-26-12-8-9-13-31(26)38-35(28)23(32)4/h5-19H,1-4H3
InChIKeyGZUODVCSZQZNGK-UHFFFAOYSA-N
MW509.67 g/mol
LogP10.43
Rot. Bonds3

About 2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)-4-phenylfuro[2,3-c]pyridine

2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)-4-phenylfuro[2,3-c]pyridine (PubChem CID 153444945) has the molecular formula C35H27NOS and a molecular weight of 509.67 g/mol. Its IUPAC name is 2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)-4-phenylfuro[2,3-c]pyridine.

Molecular Properties

Compound Name2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)-4-phenylfuro[2,3-c]pyridine
PubChem CID153444945
Molecular FormulaC35H27NOS
Molecular Weight509.67 g/mol
Exact Mass509.18
IUPAC Name2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)-4-phenylfuro[2,3-c]pyridine
SMILESCc1cc(C)cc(-c2ncc(-c3ccccc3)c3cc(-c4c(C)cc5c(sc6ccccc65)c4C)oc23)c1
InChIInChI=1S/C35H27NOS/c1-20-14-21(2)16-25(15-20)33-34-27(29(19-36-33)24-10-6-5-7-11-24)18-30(37-34)32-22(3)17-28-26-12-8-9-13-31(26)38-35(28)23(32)4/h5-19H,1-4H3
InChIKeyGZUODVCSZQZNGK-UHFFFAOYSA-N
XLogP10.43
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.67
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine
CID 153444973
4-(10-naphthalen-1-ylanthracen-9-yl)-2-phenyl-[1]benzothiolo[2,3-e][1]benzofuran
CID 176746316
2,3,4-trimethyldibenzothiophene
CID 15818020
4-(10-naphthalen-2-ylanthracen-9-yl)-2-phenyl-[1]benzothiolo[2,3-e][1]benzofuran
CID 176744236
4-(3-methyl-5-phenylphenyl)dibenzothiophene
CID 129266975
3-(2-methyl-3-phenylphenyl)dibenzothiophene
CID 146397483
7-(3,5-dimethylphenyl)-2-phenylfuro[2,3-c]pyridine
CID 153444977
4-(3-methylphenyl)-1-phenyldibenzothiophene
CID 129266942
4-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397381
4-(3-methylphenyl)dibenzothiophene;4-methyl-6-phenyldibenzothiophene;4-(3-methylphenyl)-6-phenyldibenzothiophene;4-(4-methylphenyl)-6-phenyldibenzothiophene;4-methyl-6-(4-phenylphenyl)dibenzothiophene;4-(3-methylphenyl)-6-(4-phenylphenyl)dibenzothiophene
CID 163715242
12-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1,4,6,8,10,12,15,17,19,21,23-undecaene
CID 130190482
12,24-dimethyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 144723714

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)-4-phenylfuro[2,3-c]pyridine?
The IUPAC name of 2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)-4-phenylfuro[2,3-c]pyridine (CID 153444945) is 2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)-4-phenylfuro[2,3-c]pyridine.
What is the SMILES notation for 2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)-4-phenylfuro[2,3-c]pyridine?
The canonical SMILES for 2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)-4-phenylfuro[2,3-c]pyridine is Cc1cc(C)cc(-c2ncc(-c3ccccc3)c3cc(-c4c(C)cc5c(sc6ccccc65)c4C)oc23)c1.
What is the InChIKey of 2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)-4-phenylfuro[2,3-c]pyridine?
The InChIKey is GZUODVCSZQZNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27NOS/c1-20-14-21(2)16-25(15-20)33-34-27(29(19-36-33)24-10-6-5-7-11-24)18-30(37-34)32-22(3)17-28-26-12-8-9-13-31(26)38-35(28)23(32)4/h5-19H,1-4H3.
What are the key properties of 2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)-4-phenylfuro[2,3-c]pyridine?
2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)-4-phenylfuro[2,3-c]pyridine has a molecular weight of 509.67 g/mol, XLogP of 10.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)-4-phenylfuro[2,3-c]pyridine is sourced from PubChem (CID 153444945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).