2-(6,9-diphenyldibenzothiophen-4-yl)-4-methylpyridine

C30H21NS — CID 166577291

IUPAC2-(6,9-diphenyldibenzothiophen-4-yl)-4-methylpyridine
SMILESCc1ccnc(-c2cccc3c2sc2c(-c4ccccc4)ccc(-c4ccccc4)c23)c1
InChIInChI=1S/C30H21NS/c1-20-17-18-31-27(19-20)25-13-8-14-26-28-23(21-9-4-2-5-10-21)15-16-24(30(28)32-29(25)26)22-11-6-3-7-12-22/h2-19H,1H3
InChIKeyDCZDPWBTBXHLNM-UHFFFAOYSA-N
MW427.57 g/mol
LogP8.76
Rot. Bonds3

About 2-(6,9-diphenyldibenzothiophen-4-yl)-4-methylpyridine

2-(6,9-diphenyldibenzothiophen-4-yl)-4-methylpyridine (PubChem CID 166577291) has the molecular formula C30H21NS and a molecular weight of 427.57 g/mol. Its IUPAC name is 2-(6,9-diphenyldibenzothiophen-4-yl)-4-methylpyridine.

Molecular Properties

Compound Name2-(6,9-diphenyldibenzothiophen-4-yl)-4-methylpyridine
PubChem CID166577291
Molecular FormulaC30H21NS
Molecular Weight427.57 g/mol
Exact Mass427.14
IUPAC Name2-(6,9-diphenyldibenzothiophen-4-yl)-4-methylpyridine
SMILESCc1ccnc(-c2cccc3c2sc2c(-c4ccccc4)ccc(-c4ccccc4)c23)c1
InChIInChI=1S/C30H21NS/c1-20-17-18-31-27(19-20)25-13-8-14-26-28-23(21-9-4-2-5-10-21)15-16-24(30(28)32-29(25)26)22-11-6-3-7-12-22/h2-19H,1H3
InChIKeyDCZDPWBTBXHLNM-UHFFFAOYSA-N
XLogP8.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-(2-deuteriopropan-2-yl)-1-phenyldibenzothiophen-4-yl]-4-propan-2-ylpyridine
CID 166573694
4-(3-methylphenyl)-1-phenyldibenzothiophene
CID 129266942
4-(3-methylbutan-2-yl)-2-(1-phenyldibenzothiophen-4-yl)pyridine
CID 166574230
4-pentan-3-yl-2-(9-phenyldibenzothiophen-4-yl)pyridine
CID 166574444
4-methyl-2-naphthalen-1-ylpyridine
CID 13433020
silver bis(4-methyl-2-phenylpyridine)
CID 140722040
3-[6-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1-methyldibenzothiophen-4-yl]isoquinoline
CID 169039149
9-[5-[4-(2-dibenzothiophen-4-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500027
1,4-diphenyldibenzothiophene
CID 145331773
2-(4-naphthalen-1-yl-6-phenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 156574856
2-(4-methyl-2-phenylphenyl)pyridine
CID 20606677
4-(2,2-dimethylpropyl)-5-methyl-2-(1-phenyldibenzothiophen-4-yl)pyridine
CID 166573430

Frequently Asked Questions

What is the IUPAC name of 2-(6,9-diphenyldibenzothiophen-4-yl)-4-methylpyridine?
The IUPAC name of 2-(6,9-diphenyldibenzothiophen-4-yl)-4-methylpyridine (CID 166577291) is 2-(6,9-diphenyldibenzothiophen-4-yl)-4-methylpyridine.
What is the SMILES notation for 2-(6,9-diphenyldibenzothiophen-4-yl)-4-methylpyridine?
The canonical SMILES for 2-(6,9-diphenyldibenzothiophen-4-yl)-4-methylpyridine is Cc1ccnc(-c2cccc3c2sc2c(-c4ccccc4)ccc(-c4ccccc4)c23)c1.
What is the InChIKey of 2-(6,9-diphenyldibenzothiophen-4-yl)-4-methylpyridine?
The InChIKey is DCZDPWBTBXHLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NS/c1-20-17-18-31-27(19-20)25-13-8-14-26-28-23(21-9-4-2-5-10-21)15-16-24(30(28)32-29(25)26)22-11-6-3-7-12-22/h2-19H,1H3.
What are the key properties of 2-(6,9-diphenyldibenzothiophen-4-yl)-4-methylpyridine?
2-(6,9-diphenyldibenzothiophen-4-yl)-4-methylpyridine has a molecular weight of 427.57 g/mol, XLogP of 8.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,9-diphenyldibenzothiophen-4-yl)-4-methylpyridine is sourced from PubChem (CID 166577291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).