4-[cyclopentyl(dideuterio)methyl]-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine

C32H31NO — CID 162709860

IUPAC4-[cyclopentyl(dideuterio)methyl]-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
SMILES[2H]C([2H])(c1ccnc(-c2ccc(C(C)(C)c3ccccc3)c3c2oc2ccccc23)c1)C1CCCC1
InChIInChI=1S/C32H31NO/c1-32(2,24-12-4-3-5-13-24)27-17-16-25(31-30(27)26-14-8-9-15-29(26)34-31)28-21-23(18-19-33-28)20-22-10-6-7-11-22/h3-5,8-9,12-19,21-22H,6-7,10-11,20H2,1-2H3/i20D2
InChIKeyXGVLGZIITOSFEF-FCLBBQIASA-N
MW447.62 g/mol
LogP8.71
Rot. Bonds5

About 4-[cyclopentyl(dideuterio)methyl]-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine

4-[cyclopentyl(dideuterio)methyl]-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine (PubChem CID 162709860) has the molecular formula C32H31NO and a molecular weight of 447.62 g/mol. Its IUPAC name is 4-[cyclopentyl(dideuterio)methyl]-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine.

Molecular Properties

Compound Name4-[cyclopentyl(dideuterio)methyl]-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
PubChem CID162709860
Molecular FormulaC32H31NO
Molecular Weight447.62 g/mol
Exact Mass447.25
IUPAC Name4-[cyclopentyl(dideuterio)methyl]-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
SMILES[2H]C([2H])(c1ccnc(-c2ccc(C(C)(C)c3ccccc3)c3c2oc2ccccc23)c1)C1CCCC1
InChIInChI=1S/C32H31NO/c1-32(2,24-12-4-3-5-13-24)27-17-16-25(31-30(27)26-14-8-9-15-29(26)34-31)28-21-23(18-19-33-28)20-22-10-6-7-11-22/h3-5,8-9,12-19,21-22H,6-7,10-11,20H2,1-2H3/i20D2
InChIKeyXGVLGZIITOSFEF-FCLBBQIASA-N
XLogP8.71
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.62
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162707805
4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 155611017
5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162708849
4-[cyclopentyl(dideuterio)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine
CID 162710449
4-[cyclopentyl(dideuterio)methyl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
CID 177279412
2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine
CID 164796614
2-(1-tert-butyl-7-phenyldibenzofuran-4-yl)-4-cyclohexylpyridine
CID 166574273
4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine
CID 169039009
4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 169038948
2-dibenzofuran-4-yl-4-[dideuterio(phenyl)methyl]pyridine
CID 162707858
4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039273
1-(1-tert-butyldibenzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 171576802

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(dideuterio)methyl]-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine?
The IUPAC name of 4-[cyclopentyl(dideuterio)methyl]-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine (CID 162709860) is 4-[cyclopentyl(dideuterio)methyl]-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine.
What is the SMILES notation for 4-[cyclopentyl(dideuterio)methyl]-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine?
The canonical SMILES for 4-[cyclopentyl(dideuterio)methyl]-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine is [2H]C([2H])(c1ccnc(-c2ccc(C(C)(C)c3ccccc3)c3c2oc2ccccc23)c1)C1CCCC1.
What is the InChIKey of 4-[cyclopentyl(dideuterio)methyl]-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine?
The InChIKey is XGVLGZIITOSFEF-FCLBBQIASA-N. The full InChI is InChI=1S/C32H31NO/c1-32(2,24-12-4-3-5-13-24)27-17-16-25(31-30(27)26-14-8-9-15-29(26)34-31)28-21-23(18-19-33-28)20-22-10-6-7-11-22/h3-5,8-9,12-19,21-22H,6-7,10-11,20H2,1-2H3/i20D2.
What are the key properties of 4-[cyclopentyl(dideuterio)methyl]-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine?
4-[cyclopentyl(dideuterio)methyl]-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine has a molecular weight of 447.62 g/mol, XLogP of 8.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(dideuterio)methyl]-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine is sourced from PubChem (CID 162709860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).