4-(cyclopentylmethyl)-2-(6-phenyldibenzofuran-2-yl)-5-propan-2-ylpyridine

C32H31NO — CID 155610923

IUPAC4-(cyclopentylmethyl)-2-(6-phenyldibenzofuran-2-yl)-5-propan-2-ylpyridine
SMILESCC(C)c1cnc(-c2ccc3oc4c(-c5ccccc5)cccc4c3c2)cc1CC1CCCC1
InChIInChI=1S/C32H31NO/c1-21(2)29-20-33-30(19-25(29)17-22-9-6-7-10-22)24-15-16-31-28(18-24)27-14-8-13-26(32(27)34-31)23-11-4-3-5-12-23/h3-5,8,11-16,18-22H,6-7,9-10,17H2,1-2H3
InChIKeyWTNDDIXREDRYTP-UHFFFAOYSA-N
MW445.61 g/mol
LogP9.17
Rot. Bonds5

About 4-(cyclopentylmethyl)-2-(6-phenyldibenzofuran-2-yl)-5-propan-2-ylpyridine

4-(cyclopentylmethyl)-2-(6-phenyldibenzofuran-2-yl)-5-propan-2-ylpyridine (PubChem CID 155610923) has the molecular formula C32H31NO and a molecular weight of 445.61 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-2-(6-phenyldibenzofuran-2-yl)-5-propan-2-ylpyridine.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-2-(6-phenyldibenzofuran-2-yl)-5-propan-2-ylpyridine
PubChem CID155610923
Molecular FormulaC32H31NO
Molecular Weight445.61 g/mol
Exact Mass445.24
IUPAC Name4-(cyclopentylmethyl)-2-(6-phenyldibenzofuran-2-yl)-5-propan-2-ylpyridine
SMILESCC(C)c1cnc(-c2ccc3oc4c(-c5ccccc5)cccc4c3c2)cc1CC1CCCC1
InChIInChI=1S/C32H31NO/c1-21(2)29-20-33-30(19-25(29)17-22-9-6-7-10-22)24-15-16-31-28(18-24)27-14-8-13-26(32(27)34-31)23-11-4-3-5-12-23/h3-5,8,11-16,18-22H,6-7,9-10,17H2,1-2H3
InChIKeyWTNDDIXREDRYTP-UHFFFAOYSA-N
XLogP9.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.61
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-tert-butyldibenzofuran-2-yl)-4-(cyclopentylmethyl)-5-propan-2-ylpyridine
CID 155611178
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
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole
CID 164760359
2-[2-(2-chlorophenyl)phenyl]-6-phenyldibenzofuran
CID 177177846
2-phenyl-4-[4-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850254
[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane
CID 140738962
6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 170187740
6-(4-tert-butylphenyl)-3-phenyl-[1]benzofuro[3,2-c]pyridine
CID 154728765
2-dibenzofuran-4-yl-5-[4-fluoro-3,5-di(propan-2-yl)phenyl]pyridine
CID 170047501
2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran
CID 158759484
[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane
CID 155611079
4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyrimidine
CID 166952923

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-2-(6-phenyldibenzofuran-2-yl)-5-propan-2-ylpyridine?
The IUPAC name of 4-(cyclopentylmethyl)-2-(6-phenyldibenzofuran-2-yl)-5-propan-2-ylpyridine (CID 155610923) is 4-(cyclopentylmethyl)-2-(6-phenyldibenzofuran-2-yl)-5-propan-2-ylpyridine.
What is the SMILES notation for 4-(cyclopentylmethyl)-2-(6-phenyldibenzofuran-2-yl)-5-propan-2-ylpyridine?
The canonical SMILES for 4-(cyclopentylmethyl)-2-(6-phenyldibenzofuran-2-yl)-5-propan-2-ylpyridine is CC(C)c1cnc(-c2ccc3oc4c(-c5ccccc5)cccc4c3c2)cc1CC1CCCC1.
What is the InChIKey of 4-(cyclopentylmethyl)-2-(6-phenyldibenzofuran-2-yl)-5-propan-2-ylpyridine?
The InChIKey is WTNDDIXREDRYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31NO/c1-21(2)29-20-33-30(19-25(29)17-22-9-6-7-10-22)24-15-16-31-28(18-24)27-14-8-13-26(32(27)34-31)23-11-4-3-5-12-23/h3-5,8,11-16,18-22H,6-7,9-10,17H2,1-2H3.
What are the key properties of 4-(cyclopentylmethyl)-2-(6-phenyldibenzofuran-2-yl)-5-propan-2-ylpyridine?
4-(cyclopentylmethyl)-2-(6-phenyldibenzofuran-2-yl)-5-propan-2-ylpyridine has a molecular weight of 445.61 g/mol, XLogP of 9.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-2-(6-phenyldibenzofuran-2-yl)-5-propan-2-ylpyridine is sourced from PubChem (CID 155610923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).