4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine

C30H27NO — CID 169039009

IUPAC4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine
SMILESCc1cc(-c2ccccc2)c2c(c1)oc1c(-c3cc(CC4CCCC4)ccn3)cccc12
InChIInChI=1S/C30H27NO/c1-20-16-26(23-10-3-2-4-11-23)29-25-13-7-12-24(30(25)32-28(29)17-20)27-19-22(14-15-31-27)18-21-8-5-6-9-21/h2-4,7,10-17,19,21H,5-6,8-9,18H2,1H3
InChIKeyMSMPCPDOJAFUJH-UHFFFAOYSA-N
MW417.55 g/mol
LogP8.36
Rot. Bonds4

About 4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine

4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine (PubChem CID 169039009) has the molecular formula C30H27NO and a molecular weight of 417.55 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine
PubChem CID169039009
Molecular FormulaC30H27NO
Molecular Weight417.55 g/mol
Exact Mass417.21
IUPAC Name4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine
SMILESCc1cc(-c2ccccc2)c2c(c1)oc1c(-c3cc(CC4CCCC4)ccn3)cccc12
InChIInChI=1S/C30H27NO/c1-20-16-26(23-10-3-2-4-11-23)29-25-13-7-12-24(30(25)32-28(29)17-20)27-19-22(14-15-31-27)18-21-8-5-6-9-21/h2-4,7,10-17,19,21H,5-6,8-9,18H2,1H3
InChIKeyMSMPCPDOJAFUJH-UHFFFAOYSA-N
XLogP8.36
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine
CID 167356385
8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-5-phenyl-[1]benzofuro[2,3-b]pyridine
CID 155611470
4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine
CID 166574332
4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 155611017
4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162707805
4-(cyclohexylmethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-4-yl]pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039109
4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 169038948
4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039273
8-[4-(cyclopentylmethyl)-2-pyridinyl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 155612523
4-(cyclopentylmethyl)-2-(1-methyl-8-phenyldibenzothiophen-4-yl)pyridine
CID 166577234
4-(2-bicyclo[2.2.2]octanylmethyl)-2-(9-phenyldibenzofuran-4-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039245
8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine
CID 155611309

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine?
The IUPAC name of 4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine (CID 169039009) is 4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine.
What is the SMILES notation for 4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine?
The canonical SMILES for 4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine is Cc1cc(-c2ccccc2)c2c(c1)oc1c(-c3cc(CC4CCCC4)ccn3)cccc12.
What is the InChIKey of 4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine?
The InChIKey is MSMPCPDOJAFUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO/c1-20-16-26(23-10-3-2-4-11-23)29-25-13-7-12-24(30(25)32-28(29)17-20)27-19-22(14-15-31-27)18-21-8-5-6-9-21/h2-4,7,10-17,19,21H,5-6,8-9,18H2,1H3.
What are the key properties of 4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine?
4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine has a molecular weight of 417.55 g/mol, XLogP of 8.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine is sourced from PubChem (CID 169039009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).