4-phenyl-2-[7-phenyl-9-(trideuteriomethyl)dibenzothiophen-3-yl]pyridine

C30H21NS — CID 166573317

IUPAC4-phenyl-2-[7-phenyl-9-(trideuteriomethyl)dibenzothiophen-3-yl]pyridine
SMILES[2H]C([2H])([2H])c1cc(-c2ccccc2)cc2sc3cc(-c4cc(-c5ccccc5)ccn4)ccc3c12
InChIInChI=1S/C30H21NS/c1-20-16-25(22-10-6-3-7-11-22)19-29-30(20)26-13-12-24(18-28(26)32-29)27-17-23(14-15-31-27)21-8-4-2-5-9-21/h2-19H,1H3/i1D3
InChIKeyOEGLNTGDBGKNSH-FIBGUPNXSA-N
MW430.59 g/mol
LogP8.76
Rot. Bonds4

About 4-phenyl-2-[7-phenyl-9-(trideuteriomethyl)dibenzothiophen-3-yl]pyridine

4-phenyl-2-[7-phenyl-9-(trideuteriomethyl)dibenzothiophen-3-yl]pyridine (PubChem CID 166573317) has the molecular formula C30H21NS and a molecular weight of 430.59 g/mol. Its IUPAC name is 4-phenyl-2-[7-phenyl-9-(trideuteriomethyl)dibenzothiophen-3-yl]pyridine.

Molecular Properties

Compound Name4-phenyl-2-[7-phenyl-9-(trideuteriomethyl)dibenzothiophen-3-yl]pyridine
PubChem CID166573317
Molecular FormulaC30H21NS
Molecular Weight430.59 g/mol
Exact Mass430.16
IUPAC Name4-phenyl-2-[7-phenyl-9-(trideuteriomethyl)dibenzothiophen-3-yl]pyridine
SMILES[2H]C([2H])([2H])c1cc(-c2ccccc2)cc2sc3cc(-c4cc(-c5ccccc5)ccn4)ccc3c12
InChIInChI=1S/C30H21NS/c1-20-16-25(22-10-6-3-7-11-22)19-29-30(20)26-13-12-24(18-28(26)32-29)27-17-23(14-15-31-27)21-8-4-2-5-9-21/h2-19H,1H3/i1D3
InChIKeyOEGLNTGDBGKNSH-FIBGUPNXSA-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 ≤ 500430.59
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine
CID 166574154
4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine
CID 166575205
4-(4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]phenyl]pyridine
CID 159742768
2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine
CID 166576650
2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine
CID 167362982
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
4-(9-methyldibenzothiophen-3-yl)pyridine
CID 146397284
2-(9,10-diphenylanthracen-2-yl)-4-phenylpyridine
CID 59722107
2-phenyl-4-triphenylen-2-ylpyridine
CID 168743611
4-[4-(7-phenyldibenzothiophen-3-yl)phenyl]pyridine-2-carbonitrile
CID 118397870
4-(7-phenyldibenzothiophen-3-yl)pyridine-2-carbonitrile
CID 118397389
5-(dideuteriomethyl)-4-phenyl-2-(8-phenyldibenzothiophen-2-yl)pyridine
CID 166575727

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[7-phenyl-9-(trideuteriomethyl)dibenzothiophen-3-yl]pyridine?
The IUPAC name of 4-phenyl-2-[7-phenyl-9-(trideuteriomethyl)dibenzothiophen-3-yl]pyridine (CID 166573317) is 4-phenyl-2-[7-phenyl-9-(trideuteriomethyl)dibenzothiophen-3-yl]pyridine.
What is the SMILES notation for 4-phenyl-2-[7-phenyl-9-(trideuteriomethyl)dibenzothiophen-3-yl]pyridine?
The canonical SMILES for 4-phenyl-2-[7-phenyl-9-(trideuteriomethyl)dibenzothiophen-3-yl]pyridine is [2H]C([2H])([2H])c1cc(-c2ccccc2)cc2sc3cc(-c4cc(-c5ccccc5)ccn4)ccc3c12.
What is the InChIKey of 4-phenyl-2-[7-phenyl-9-(trideuteriomethyl)dibenzothiophen-3-yl]pyridine?
The InChIKey is OEGLNTGDBGKNSH-FIBGUPNXSA-N. The full InChI is InChI=1S/C30H21NS/c1-20-16-25(22-10-6-3-7-11-22)19-29-30(20)26-13-12-24(18-28(26)32-29)27-17-23(14-15-31-27)21-8-4-2-5-9-21/h2-19H,1H3/i1D3.
What are the key properties of 4-phenyl-2-[7-phenyl-9-(trideuteriomethyl)dibenzothiophen-3-yl]pyridine?
4-phenyl-2-[7-phenyl-9-(trideuteriomethyl)dibenzothiophen-3-yl]pyridine has a molecular weight of 430.59 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 4-phenyl-2-[7-phenyl-9-(trideuteriomethyl)dibenzothiophen-3-yl]pyridine is sourced from PubChem (CID 166573317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).