5-(dideuteriomethyl)-4-phenyl-2-(8-phenyldibenzothiophen-2-yl)pyridine

C30H21NS — CID 166575727

IUPAC5-(dideuteriomethyl)-4-phenyl-2-(8-phenyldibenzothiophen-2-yl)pyridine
SMILES[2H]C([2H])c1cnc(-c2ccc3sc4ccc(-c5ccccc5)cc4c3c2)cc1-c1ccccc1
InChIInChI=1S/C30H21NS/c1-20-19-31-28(18-25(20)22-10-6-3-7-11-22)24-13-15-30-27(17-24)26-16-23(12-14-29(26)32-30)21-8-4-2-5-9-21/h2-19H,1H3/i1D2
InChIKeyOLSVCWKOJOPKFE-DICFDUPASA-N
MW429.58 g/mol
LogP8.76
Rot. Bonds4

About 5-(dideuteriomethyl)-4-phenyl-2-(8-phenyldibenzothiophen-2-yl)pyridine

5-(dideuteriomethyl)-4-phenyl-2-(8-phenyldibenzothiophen-2-yl)pyridine (PubChem CID 166575727) has the molecular formula C30H21NS and a molecular weight of 429.58 g/mol. Its IUPAC name is 5-(dideuteriomethyl)-4-phenyl-2-(8-phenyldibenzothiophen-2-yl)pyridine.

Molecular Properties

Compound Name5-(dideuteriomethyl)-4-phenyl-2-(8-phenyldibenzothiophen-2-yl)pyridine
PubChem CID166575727
Molecular FormulaC30H21NS
Molecular Weight429.58 g/mol
Exact Mass429.15
IUPAC Name5-(dideuteriomethyl)-4-phenyl-2-(8-phenyldibenzothiophen-2-yl)pyridine
SMILES[2H]C([2H])c1cnc(-c2ccc3sc4ccc(-c5ccccc5)cc4c3c2)cc1-c1ccccc1
InChIInChI=1S/C30H21NS/c1-20-19-31-28(18-25(20)22-10-6-3-7-11-22)24-13-15-30-27(17-24)26-16-23(12-14-29(26)32-30)21-8-4-2-5-9-21/h2-19H,1H3/i1D2
InChIKeyOLSVCWKOJOPKFE-DICFDUPASA-N
XLogP8.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.58
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(dideuteriomethyl)-4-phenyl-2-(8-phenyldibenzothiophen-2-yl)pyridine 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

5-methyl-4-phenyl-2-(3-phenylphenyl)pyridine
CID 140676048
2-dibenzothiophen-2-yl-4-[dideuterio(phenyl)methyl]-5-(trideuteriomethyl)pyridine
CID 162708265
4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine
CID 166574154
2,8-bis(2-phenylphenyl)dibenzothiophene
CID 58971386
5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 153187941
4-pentan-3-yl-2-(8-phenyldibenzothiophen-2-yl)pyridine
CID 166574588
2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene
CID 144568506
2-phenyl-4-(4-phenylphenyl)-6-[8-(6-pyridin-2-yl-3-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine
CID 134380771
2-phenyl-4-(4-phenylphenyl)-6-[8-(5-pyridin-4-yl-2-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine
CID 134380833
3-(3-dibenzothiophen-2-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 58410093
4-phenyl-2-[7-phenyl-9-(trideuteriomethyl)dibenzothiophen-3-yl]pyridine
CID 166573317
2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine
CID 130210857

Frequently Asked Questions

What is the IUPAC name of 5-(dideuteriomethyl)-4-phenyl-2-(8-phenyldibenzothiophen-2-yl)pyridine?
The IUPAC name of 5-(dideuteriomethyl)-4-phenyl-2-(8-phenyldibenzothiophen-2-yl)pyridine (CID 166575727) is 5-(dideuteriomethyl)-4-phenyl-2-(8-phenyldibenzothiophen-2-yl)pyridine.
What is the SMILES notation for 5-(dideuteriomethyl)-4-phenyl-2-(8-phenyldibenzothiophen-2-yl)pyridine?
The canonical SMILES for 5-(dideuteriomethyl)-4-phenyl-2-(8-phenyldibenzothiophen-2-yl)pyridine is [2H]C([2H])c1cnc(-c2ccc3sc4ccc(-c5ccccc5)cc4c3c2)cc1-c1ccccc1.
What is the InChIKey of 5-(dideuteriomethyl)-4-phenyl-2-(8-phenyldibenzothiophen-2-yl)pyridine?
The InChIKey is OLSVCWKOJOPKFE-DICFDUPASA-N. The full InChI is InChI=1S/C30H21NS/c1-20-19-31-28(18-25(20)22-10-6-3-7-11-22)24-13-15-30-27(17-24)26-16-23(12-14-29(26)32-30)21-8-4-2-5-9-21/h2-19H,1H3/i1D2.
What are the key properties of 5-(dideuteriomethyl)-4-phenyl-2-(8-phenyldibenzothiophen-2-yl)pyridine?
5-(dideuteriomethyl)-4-phenyl-2-(8-phenyldibenzothiophen-2-yl)pyridine has a molecular weight of 429.58 g/mol, XLogP of 8.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dideuteriomethyl)-4-phenyl-2-(8-phenyldibenzothiophen-2-yl)pyridine is sourced from PubChem (CID 166575727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).