2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine

C32H25NS — CID 166574431

IUPAC2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine
SMILESCC(C)c1ccnc(-c2cccc3c2sc2ccc(-c4ccc(-c5ccccc5)cc4)cc23)c1
InChIInChI=1S/C32H25NS/c1-21(2)25-17-18-33-30(20-25)28-10-6-9-27-29-19-26(15-16-31(29)34-32(27)28)24-13-11-23(12-14-24)22-7-4-3-5-8-22/h3-21H,1-2H3
InChIKeyHYLFUNFWLWKDSP-UHFFFAOYSA-N
MW455.63 g/mol
LogP9.57
Rot. Bonds4

About 2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine

2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine (PubChem CID 166574431) has the molecular formula C32H25NS and a molecular weight of 455.63 g/mol. Its IUPAC name is 2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine
PubChem CID166574431
Molecular FormulaC32H25NS
Molecular Weight455.63 g/mol
Exact Mass455.17
IUPAC Name2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine
SMILESCC(C)c1ccnc(-c2cccc3c2sc2ccc(-c4ccc(-c5ccccc5)cc4)cc23)c1
InChIInChI=1S/C32H25NS/c1-21(2)25-17-18-33-30(20-25)28-10-6-9-27-29-19-26(15-16-31(29)34-32(27)28)24-13-11-23(12-14-24)22-7-4-3-5-8-22/h3-21H,1-2H3
InChIKeyHYLFUNFWLWKDSP-UHFFFAOYSA-N
XLogP9.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.63
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)dibenzothiophen-3-yl]phenyl]germane
CID 164832502
4-(2,2-dimethylpropyl)-2-(8-phenyldibenzothiophen-4-yl)pyridine
CID 166574741
4-(2-deuteriopropan-2-yl)-2-[7-(4-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165171093
4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165170640
2-[8-(4-methylphenyl)dibenzothiophen-2-yl]-4-propan-2-ylpyridine
CID 166578354
4-pentan-3-yl-2-(9-phenyldibenzothiophen-4-yl)pyridine
CID 166574444
iridium;2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166575790
[1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane
CID 165170727
4-pentan-3-yl-2-(8-phenyldibenzothiophen-2-yl)pyridine
CID 166574588
2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine
CID 166576650
4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine
CID 162708702
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine?
The IUPAC name of 2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine (CID 166574431) is 2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine.
What is the SMILES notation for 2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine?
The canonical SMILES for 2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine is CC(C)c1ccnc(-c2cccc3c2sc2ccc(-c4ccc(-c5ccccc5)cc4)cc23)c1.
What is the InChIKey of 2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine?
The InChIKey is HYLFUNFWLWKDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25NS/c1-21(2)25-17-18-33-30(20-25)28-10-6-9-27-29-19-26(15-16-31(29)34-32(27)28)24-13-11-23(12-14-24)22-7-4-3-5-8-22/h3-21H,1-2H3.
What are the key properties of 2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine?
2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine has a molecular weight of 455.63 g/mol, XLogP of 9.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine is sourced from PubChem (CID 166574431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).