4-[cyclopentyl(dideuterio)methyl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine

C27H23NO — CID 177279412

IUPAC4-[cyclopentyl(dideuterio)methyl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
SMILES[2H]C([2H])(c1ccnc(-c2ccc3oc4cc5ccccc5cc4c3c2)c1)C1CCCC1
InChIInChI=1S/C27H23NO/c1-2-6-18(5-1)13-19-11-12-28-25(14-19)22-9-10-26-23(16-22)24-15-20-7-3-4-8-21(20)17-27(24)29-26/h3-4,7-12,14-18H,1-2,5-6,13H2/i13D2
InChIKeyHOEMBTMQNHDPLR-KLTYLHELSA-N
MW379.50 g/mol
LogP7.53
Rot. Bonds3

About 4-[cyclopentyl(dideuterio)methyl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine

4-[cyclopentyl(dideuterio)methyl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine (PubChem CID 177279412) has the molecular formula C27H23NO and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-[cyclopentyl(dideuterio)methyl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine.

Molecular Properties

Compound Name4-[cyclopentyl(dideuterio)methyl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
PubChem CID177279412
Molecular FormulaC27H23NO
Molecular Weight379.50 g/mol
Exact Mass379.19
IUPAC Name4-[cyclopentyl(dideuterio)methyl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
SMILES[2H]C([2H])(c1ccnc(-c2ccc3oc4cc5ccccc5cc4c3c2)c1)C1CCCC1
InChIInChI=1S/C27H23NO/c1-2-6-18(5-1)13-19-11-12-28-25(14-19)22-9-10-26-23(16-22)24-15-20-7-3-4-8-21(20)17-27(24)29-26/h3-4,7-12,14-18H,1-2,5-6,13H2/i13D2
InChIKeyHOEMBTMQNHDPLR-KLTYLHELSA-N
XLogP7.53
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[cyclopentyl(dideuterio)methyl]-2-[7-(2,6-dimethylphenyl)dibenzofuran-2-yl]pyridine
CID 166575549
4-[cyclopentyl(dideuterio)methyl]-2-[3-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-10-yl]pyridine
CID 162707187
19-[4-(cyclopentylmethyl)-2-pyridinyl]-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene
CID 164803230
4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 155611017
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-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine
CID 162707526
4-[cyclopentyl(dideuterio)methyl]-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162709860
4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine
CID 162707121
4-[cyclohexyl(dideuterio)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166577703
3-[8-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]isoquinoline
CID 162707832
4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 166578236
4-[cyclohexyl(dideuterio)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
CID 171435687

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(dideuterio)methyl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine?
The IUPAC name of 4-[cyclopentyl(dideuterio)methyl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine (CID 177279412) is 4-[cyclopentyl(dideuterio)methyl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine.
What is the SMILES notation for 4-[cyclopentyl(dideuterio)methyl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine?
The canonical SMILES for 4-[cyclopentyl(dideuterio)methyl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine is [2H]C([2H])(c1ccnc(-c2ccc3oc4cc5ccccc5cc4c3c2)c1)C1CCCC1.
What is the InChIKey of 4-[cyclopentyl(dideuterio)methyl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine?
The InChIKey is HOEMBTMQNHDPLR-KLTYLHELSA-N. The full InChI is InChI=1S/C27H23NO/c1-2-6-18(5-1)13-19-11-12-28-25(14-19)22-9-10-26-23(16-22)24-15-20-7-3-4-8-21(20)17-27(24)29-26/h3-4,7-12,14-18H,1-2,5-6,13H2/i13D2.
What are the key properties of 4-[cyclopentyl(dideuterio)methyl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine?
4-[cyclopentyl(dideuterio)methyl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine has a molecular weight of 379.50 g/mol, XLogP of 7.53, 3 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-naphtho[2,3-b][1]benzofuran-2-ylpyridine is sourced from PubChem (CID 177279412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).