4-(cyclopentylmethyl)-2-(1-methyl-8-phenyldibenzothiophen-4-yl)pyridine

C30H27NS — CID 166577234

IUPAC4-(cyclopentylmethyl)-2-(1-methyl-8-phenyldibenzothiophen-4-yl)pyridine
SMILESCc1ccc(-c2cc(CC3CCCC3)ccn2)c2sc3ccc(-c4ccccc4)cc3c12
InChIInChI=1S/C30H27NS/c1-20-11-13-25(27-18-22(15-16-31-27)17-21-7-5-6-8-21)30-29(20)26-19-24(12-14-28(26)32-30)23-9-3-2-4-10-23/h2-4,9-16,18-19,21H,5-8,17H2,1H3
InChIKeyTVKAUCYVAVVYGP-UHFFFAOYSA-N
MW433.62 g/mol
LogP8.82
Rot. Bonds4

About 4-(cyclopentylmethyl)-2-(1-methyl-8-phenyldibenzothiophen-4-yl)pyridine

4-(cyclopentylmethyl)-2-(1-methyl-8-phenyldibenzothiophen-4-yl)pyridine (PubChem CID 166577234) has the molecular formula C30H27NS and a molecular weight of 433.62 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-2-(1-methyl-8-phenyldibenzothiophen-4-yl)pyridine.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-2-(1-methyl-8-phenyldibenzothiophen-4-yl)pyridine
PubChem CID166577234
Molecular FormulaC30H27NS
Molecular Weight433.62 g/mol
Exact Mass433.19
IUPAC Name4-(cyclopentylmethyl)-2-(1-methyl-8-phenyldibenzothiophen-4-yl)pyridine
SMILESCc1ccc(-c2cc(CC3CCCC3)ccn2)c2sc3ccc(-c4ccccc4)cc3c12
InChIInChI=1S/C30H27NS/c1-20-11-13-25(27-18-22(15-16-31-27)17-21-7-5-6-8-21)30-29(20)26-19-24(12-14-28(26)32-30)23-9-3-2-4-10-23/h2-4,9-16,18-19,21H,5-8,17H2,1H3
InChIKeyTVKAUCYVAVVYGP-UHFFFAOYSA-N
XLogP8.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.62
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclohexylmethyl)-2-[9-(2,3-dimethylphenyl)dibenzothiophen-2-yl]pyridine
CID 166573288
4-(2,2-dimethylpropyl)-2-(8-phenyldibenzothiophen-4-yl)pyridine
CID 166574741
8-[4-(cyclopentylmethyl)-2-pyridinyl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 155612523
8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-5-phenyl-[1]benzofuro[2,3-b]pyridine
CID 155611470
4-[4-(cyclohexylmethyl)phenyl]-2-phenylpyridine
CID 129075043
4-(cyclopentylmethyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 166574110
4-(cyclohexylmethyl)-2-[7-(2,5-difluorophenyl)dibenzothiophen-4-yl]pyridine
CID 166574736
4-(cyclohexylmethyl)-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 169038565
4-(cyclohexylmethyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166576463
4-(cyclopentylmethyl)-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166577052
4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine
CID 169039009
8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine
CID 167356385

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-2-(1-methyl-8-phenyldibenzothiophen-4-yl)pyridine?
The IUPAC name of 4-(cyclopentylmethyl)-2-(1-methyl-8-phenyldibenzothiophen-4-yl)pyridine (CID 166577234) is 4-(cyclopentylmethyl)-2-(1-methyl-8-phenyldibenzothiophen-4-yl)pyridine.
What is the SMILES notation for 4-(cyclopentylmethyl)-2-(1-methyl-8-phenyldibenzothiophen-4-yl)pyridine?
The canonical SMILES for 4-(cyclopentylmethyl)-2-(1-methyl-8-phenyldibenzothiophen-4-yl)pyridine is Cc1ccc(-c2cc(CC3CCCC3)ccn2)c2sc3ccc(-c4ccccc4)cc3c12.
What is the InChIKey of 4-(cyclopentylmethyl)-2-(1-methyl-8-phenyldibenzothiophen-4-yl)pyridine?
The InChIKey is TVKAUCYVAVVYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NS/c1-20-11-13-25(27-18-22(15-16-31-27)17-21-7-5-6-8-21)30-29(20)26-19-24(12-14-28(26)32-30)23-9-3-2-4-10-23/h2-4,9-16,18-19,21H,5-8,17H2,1H3.
What are the key properties of 4-(cyclopentylmethyl)-2-(1-methyl-8-phenyldibenzothiophen-4-yl)pyridine?
4-(cyclopentylmethyl)-2-(1-methyl-8-phenyldibenzothiophen-4-yl)pyridine has a molecular weight of 433.62 g/mol, XLogP of 8.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-2-(1-methyl-8-phenyldibenzothiophen-4-yl)pyridine is sourced from PubChem (CID 166577234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).