2-(8-tert-butyldibenzofuran-2-yl)-4-(cyclopentylmethyl)-5-propan-2-ylpyridine

C30H35NO — CID 155611178

IUPAC2-(8-tert-butyldibenzofuran-2-yl)-4-(cyclopentylmethyl)-5-propan-2-ylpyridine
SMILESCC(C)c1cnc(-c2ccc3oc4ccc(C(C)(C)C)cc4c3c2)cc1CC1CCCC1
InChIInChI=1S/C30H35NO/c1-19(2)26-18-31-27(16-22(26)14-20-8-6-7-9-20)21-10-12-28-24(15-21)25-17-23(30(3,4)5)11-13-29(25)32-28/h10-13,15-20H,6-9,14H2,1-5H3
InChIKeyANXJPQWDYOQKTQ-UHFFFAOYSA-N
MW425.62 g/mol
LogP8.80
Rot. Bonds4

About 2-(8-tert-butyldibenzofuran-2-yl)-4-(cyclopentylmethyl)-5-propan-2-ylpyridine

2-(8-tert-butyldibenzofuran-2-yl)-4-(cyclopentylmethyl)-5-propan-2-ylpyridine (PubChem CID 155611178) has the molecular formula C30H35NO and a molecular weight of 425.62 g/mol. Its IUPAC name is 2-(8-tert-butyldibenzofuran-2-yl)-4-(cyclopentylmethyl)-5-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(8-tert-butyldibenzofuran-2-yl)-4-(cyclopentylmethyl)-5-propan-2-ylpyridine
PubChem CID155611178
Molecular FormulaC30H35NO
Molecular Weight425.62 g/mol
Exact Mass425.27
IUPAC Name2-(8-tert-butyldibenzofuran-2-yl)-4-(cyclopentylmethyl)-5-propan-2-ylpyridine
SMILESCC(C)c1cnc(-c2ccc3oc4ccc(C(C)(C)C)cc4c3c2)cc1CC1CCCC1
InChIInChI=1S/C30H35NO/c1-19(2)26-18-31-27(16-22(26)14-20-8-6-7-9-20)21-10-12-28-24(15-21)25-17-23(30(3,4)5)11-13-29(25)32-28/h10-13,15-20H,6-9,14H2,1-5H3
InChIKeyANXJPQWDYOQKTQ-UHFFFAOYSA-N
XLogP8.80
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.62
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclopentylmethyl)-2-(6-phenyldibenzofuran-2-yl)-5-propan-2-ylpyridine
CID 155610923
2,8-ditert-butyldibenzofuran
CID 14914466
[6-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-4-(cyclopentylmethyl)-3-pyridinyl]-trimethylsilane
CID 154591896
[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane
CID 140738962
4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155610550
4-(cyclopentylmethyl)-2-(6-phenyl-1H-dibenzofuran-1-id-2-yl)-5-propan-2-ylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 155610922
[6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 167331736
5-(1-deuterio-1-phenylethyl)-2-dibenzofuran-2-yl-4-[dideuterio(phenyl)methyl]pyridine
CID 162710557
5-methyl-4-(2-methylpropyl)-2-[9-(2-phenylpropan-2-yl)dibenzofuran-2-yl]pyridine
CID 162708883
[4-(cyclohexylmethyl)-6-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]-trimethylsilane
CID 166576367
[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane
CID 155611079
4-[cyclopentyl(dideuterio)methyl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
CID 177279412

Frequently Asked Questions

What is the IUPAC name of 2-(8-tert-butyldibenzofuran-2-yl)-4-(cyclopentylmethyl)-5-propan-2-ylpyridine?
The IUPAC name of 2-(8-tert-butyldibenzofuran-2-yl)-4-(cyclopentylmethyl)-5-propan-2-ylpyridine (CID 155611178) is 2-(8-tert-butyldibenzofuran-2-yl)-4-(cyclopentylmethyl)-5-propan-2-ylpyridine.
What is the SMILES notation for 2-(8-tert-butyldibenzofuran-2-yl)-4-(cyclopentylmethyl)-5-propan-2-ylpyridine?
The canonical SMILES for 2-(8-tert-butyldibenzofuran-2-yl)-4-(cyclopentylmethyl)-5-propan-2-ylpyridine is CC(C)c1cnc(-c2ccc3oc4ccc(C(C)(C)C)cc4c3c2)cc1CC1CCCC1.
What is the InChIKey of 2-(8-tert-butyldibenzofuran-2-yl)-4-(cyclopentylmethyl)-5-propan-2-ylpyridine?
The InChIKey is ANXJPQWDYOQKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35NO/c1-19(2)26-18-31-27(16-22(26)14-20-8-6-7-9-20)21-10-12-28-24(15-21)25-17-23(30(3,4)5)11-13-29(25)32-28/h10-13,15-20H,6-9,14H2,1-5H3.
What are the key properties of 2-(8-tert-butyldibenzofuran-2-yl)-4-(cyclopentylmethyl)-5-propan-2-ylpyridine?
2-(8-tert-butyldibenzofuran-2-yl)-4-(cyclopentylmethyl)-5-propan-2-ylpyridine has a molecular weight of 425.62 g/mol, XLogP of 8.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-tert-butyldibenzofuran-2-yl)-4-(cyclopentylmethyl)-5-propan-2-ylpyridine is sourced from PubChem (CID 155611178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).