4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine

C30H27NO — CID 155611017

IUPAC4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine
SMILES[2H]C([2H])(c1ccnc(-c2cccc3c2oc2cc(-c4ccccc4)ccc23)c1)C1CCCCC1
InChIInChI=1S/C30H27NO/c1-3-8-21(9-4-1)18-22-16-17-31-28(19-22)27-13-7-12-26-25-15-14-24(20-29(25)32-30(26)27)23-10-5-2-6-11-23/h2,5-7,10-17,19-21H,1,3-4,8-9,18H2/i18D2
InChIKeyILEJBUJWIZQEHW-CPLZMPMBSA-N
MW419.56 g/mol
LogP8.44
Rot. Bonds4

About 4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine

4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine (PubChem CID 155611017) has the molecular formula C30H27NO and a molecular weight of 419.56 g/mol. Its IUPAC name is 4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine.

Molecular Properties

Compound Name4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine
PubChem CID155611017
Molecular FormulaC30H27NO
Molecular Weight419.56 g/mol
Exact Mass419.22
IUPAC Name4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine
SMILES[2H]C([2H])(c1ccnc(-c2cccc3c2oc2cc(-c4ccccc4)ccc23)c1)C1CCCCC1
InChIInChI=1S/C30H27NO/c1-3-8-21(9-4-1)18-22-16-17-31-28(19-22)27-13-7-12-26-25-15-14-24(20-29(25)32-30(26)27)23-10-5-2-6-11-23/h2,5-7,10-17,19-21H,1,3-4,8-9,18H2/i18D2
InChIKeyILEJBUJWIZQEHW-CPLZMPMBSA-N
XLogP8.44
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.56
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 162707718
4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine
CID 166574332
2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine
CID 166573759
4-[cyclopentyl(dideuterio)methyl]-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162709860
2-dibenzofuran-4-yl-4-[dideuterio(phenyl)methyl]pyridine
CID 162707858
4-[cyclopentyl(dideuterio)methyl]-2-[7-(2,6-dimethylphenyl)dibenzofuran-2-yl]pyridine
CID 166575549
2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]-4-(4-fluorophenyl)pyridine
CID 162708942
4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine
CID 169039009
4-[cyclopentyl(dideuterio)methyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 155611088
4-[cyclopentyl(dideuterio)methyl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
CID 177279412
3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile
CID 170546352
4-[cyclopentyl(dideuterio)methyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 166576585

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine?
The IUPAC name of 4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine (CID 155611017) is 4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine.
What is the SMILES notation for 4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine?
The canonical SMILES for 4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine is [2H]C([2H])(c1ccnc(-c2cccc3c2oc2cc(-c4ccccc4)ccc23)c1)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine?
The InChIKey is ILEJBUJWIZQEHW-CPLZMPMBSA-N. The full InChI is InChI=1S/C30H27NO/c1-3-8-21(9-4-1)18-22-16-17-31-28(19-22)27-13-7-12-26-25-15-14-24(20-29(25)32-30(26)27)23-10-5-2-6-11-23/h2,5-7,10-17,19-21H,1,3-4,8-9,18H2/i18D2.
What are the key properties of 4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine?
4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine has a molecular weight of 419.56 g/mol, XLogP of 8.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine is sourced from PubChem (CID 155611017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).