2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine

C26H21NS — CID 166576650

IUPAC2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine
SMILESCC(C)c1ccnc(-c2ccc3c(c2)sc2cccc(-c4ccccc4)c23)c1
InChIInChI=1S/C26H21NS/c1-17(2)19-13-14-27-23(15-19)20-11-12-22-25(16-20)28-24-10-6-9-21(26(22)24)18-7-4-3-5-8-18/h3-17H,1-2H3
InChIKeyDLXRDCVYFATBMS-UHFFFAOYSA-N
MW379.53 g/mol
LogP7.91
Rot. Bonds3

About 2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine

2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine (PubChem CID 166576650) has the molecular formula C26H21NS and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine
PubChem CID166576650
Molecular FormulaC26H21NS
Molecular Weight379.53 g/mol
Exact Mass379.14
IUPAC Name2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine
SMILESCC(C)c1ccnc(-c2ccc3c(c2)sc2cccc(-c4ccccc4)c23)c1
InChIInChI=1S/C26H21NS/c1-17(2)19-13-14-27-23(15-19)20-11-12-22-25(16-20)28-24-10-6-9-21(26(22)24)18-7-4-3-5-8-18/h3-17H,1-2H3
InChIKeyDLXRDCVYFATBMS-UHFFFAOYSA-N
XLogP7.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 164797737
2-[9-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170193405
4-pentan-3-yl-2-(9-phenyldibenzothiophen-4-yl)pyridine
CID 166574444
2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine
CID 166574431
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 164797872
2-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 155328619
trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)dibenzothiophen-3-yl]phenyl]germane
CID 164832502
2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine
CID 167362982
4-phenyl-2-[7-phenyl-9-(trideuteriomethyl)dibenzothiophen-3-yl]pyridine
CID 166573317
iridium;2-(9-phenyl-3H-dibenzothiophen-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 166574198
4-(3-methylbutan-2-yl)-2-(1-phenyldibenzothiophen-4-yl)pyridine
CID 166574230
2-[6-(2-deuteriopropan-2-yl)-1-phenyldibenzothiophen-4-yl]-4-propan-2-ylpyridine
CID 166573694

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine?
The IUPAC name of 2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine (CID 166576650) is 2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine.
What is the SMILES notation for 2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine?
The canonical SMILES for 2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine is CC(C)c1ccnc(-c2ccc3c(c2)sc2cccc(-c4ccccc4)c23)c1.
What is the InChIKey of 2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine?
The InChIKey is DLXRDCVYFATBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NS/c1-17(2)19-13-14-27-23(15-19)20-11-12-22-25(16-20)28-24-10-6-9-21(26(22)24)18-7-4-3-5-8-18/h3-17H,1-2H3.
What are the key properties of 2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine?
2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine has a molecular weight of 379.53 g/mol, XLogP of 7.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine is sourced from PubChem (CID 166576650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).