4-pentan-3-yl-2-(8-phenyldibenzothiophen-2-yl)pyridine

C28H25NS — CID 166574588

IUPAC4-pentan-3-yl-2-(8-phenyldibenzothiophen-2-yl)pyridine
SMILESCCC(CC)c1ccnc(-c2ccc3sc4ccc(-c5ccccc5)cc4c3c2)c1
InChIInChI=1S/C28H25NS/c1-3-19(4-2)22-14-15-29-26(18-22)23-11-13-28-25(17-23)24-16-21(10-12-27(24)30-28)20-8-6-5-7-9-20/h5-19H,3-4H2,1-2H3
InChIKeyPKASIOPDYQHCNC-UHFFFAOYSA-N
MW407.58 g/mol
LogP8.69
Rot. Bonds5

About 4-pentan-3-yl-2-(8-phenyldibenzothiophen-2-yl)pyridine

4-pentan-3-yl-2-(8-phenyldibenzothiophen-2-yl)pyridine (PubChem CID 166574588) has the molecular formula C28H25NS and a molecular weight of 407.58 g/mol. Its IUPAC name is 4-pentan-3-yl-2-(8-phenyldibenzothiophen-2-yl)pyridine.

Molecular Properties

Compound Name4-pentan-3-yl-2-(8-phenyldibenzothiophen-2-yl)pyridine
PubChem CID166574588
Molecular FormulaC28H25NS
Molecular Weight407.58 g/mol
Exact Mass407.17
IUPAC Name4-pentan-3-yl-2-(8-phenyldibenzothiophen-2-yl)pyridine
SMILESCCC(CC)c1ccnc(-c2ccc3sc4ccc(-c5ccccc5)cc4c3c2)c1
InChIInChI=1S/C28H25NS/c1-3-19(4-2)22-14-15-29-26(18-22)23-11-13-28-25(17-23)24-16-21(10-12-27(24)30-28)20-8-6-5-7-9-20/h5-19H,3-4H2,1-2H3
InChIKeyPKASIOPDYQHCNC-UHFFFAOYSA-N
XLogP8.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.58
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[8-(4-methylphenyl)dibenzothiophen-2-yl]-4-propan-2-ylpyridine
CID 166578354
4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine
CID 166574154
iridium;4-pentan-3-yl-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574587
4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine
CID 162708702
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-pentan-3-yl-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine
CID 166574644
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
trimethyl-[8-(4-propan-2-yl-2-pyridinyl)dibenzothiophen-2-yl]germane
CID 164832484
2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]-4-(3-methylbutan-2-yl)pyridine
CID 166577015
4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine
CID 166575205
(2-dibenzothiophen-2-yl-4-pyridinyl)-trimethylsilane
CID 140719910
5-(dideuteriomethyl)-4-phenyl-2-(8-phenyldibenzothiophen-2-yl)pyridine
CID 166575727

Frequently Asked Questions

What is the IUPAC name of 4-pentan-3-yl-2-(8-phenyldibenzothiophen-2-yl)pyridine?
The IUPAC name of 4-pentan-3-yl-2-(8-phenyldibenzothiophen-2-yl)pyridine (CID 166574588) is 4-pentan-3-yl-2-(8-phenyldibenzothiophen-2-yl)pyridine.
What is the SMILES notation for 4-pentan-3-yl-2-(8-phenyldibenzothiophen-2-yl)pyridine?
The canonical SMILES for 4-pentan-3-yl-2-(8-phenyldibenzothiophen-2-yl)pyridine is CCC(CC)c1ccnc(-c2ccc3sc4ccc(-c5ccccc5)cc4c3c2)c1.
What is the InChIKey of 4-pentan-3-yl-2-(8-phenyldibenzothiophen-2-yl)pyridine?
The InChIKey is PKASIOPDYQHCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NS/c1-3-19(4-2)22-14-15-29-26(18-22)23-11-13-28-25(17-23)24-16-21(10-12-27(24)30-28)20-8-6-5-7-9-20/h5-19H,3-4H2,1-2H3.
What are the key properties of 4-pentan-3-yl-2-(8-phenyldibenzothiophen-2-yl)pyridine?
4-pentan-3-yl-2-(8-phenyldibenzothiophen-2-yl)pyridine has a molecular weight of 407.58 g/mol, XLogP of 8.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentan-3-yl-2-(8-phenyldibenzothiophen-2-yl)pyridine is sourced from PubChem (CID 166574588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).