5-[6-[4-(1-cyclohexylethyl)-2-pyridinyl]dibenzofuran-3-yl]-2,4,6-trimethylpyrimidine

C32H33N3O — CID 155610773

IUPAC5-[6-[4-(1-cyclohexylethyl)-2-pyridinyl]dibenzofuran-3-yl]-2,4,6-trimethylpyrimidine
SMILESCc1nc(C)c(-c2ccc3c(c2)oc2c(-c4cc(C(C)C5CCCCC5)ccn4)cccc23)c(C)n1
InChIInChI=1S/C32H33N3O/c1-19(23-9-6-5-7-10-23)24-15-16-33-29(17-24)28-12-8-11-27-26-14-13-25(18-30(26)36-32(27)28)31-20(2)34-22(4)35-21(31)3/h8,11-19,23H,5-7,9-10H2,1-4H3
InChIKeyWCGKYJAKHRCXHV-UHFFFAOYSA-N
MW475.64 g/mol
LogP8.71
Rot. Bonds4

About 5-[6-[4-(1-cyclohexylethyl)-2-pyridinyl]dibenzofuran-3-yl]-2,4,6-trimethylpyrimidine

5-[6-[4-(1-cyclohexylethyl)-2-pyridinyl]dibenzofuran-3-yl]-2,4,6-trimethylpyrimidine (PubChem CID 155610773) has the molecular formula C32H33N3O and a molecular weight of 475.64 g/mol. Its IUPAC name is 5-[6-[4-(1-cyclohexylethyl)-2-pyridinyl]dibenzofuran-3-yl]-2,4,6-trimethylpyrimidine.

Molecular Properties

Compound Name5-[6-[4-(1-cyclohexylethyl)-2-pyridinyl]dibenzofuran-3-yl]-2,4,6-trimethylpyrimidine
PubChem CID155610773
Molecular FormulaC32H33N3O
Molecular Weight475.64 g/mol
Exact Mass475.26
IUPAC Name5-[6-[4-(1-cyclohexylethyl)-2-pyridinyl]dibenzofuran-3-yl]-2,4,6-trimethylpyrimidine
SMILESCc1nc(C)c(-c2ccc3c(c2)oc2c(-c4cc(C(C)C5CCCCC5)ccn4)cccc23)c(C)n1
InChIInChI=1S/C32H33N3O/c1-19(23-9-6-5-7-10-23)24-15-16-33-29(17-24)28-12-8-11-27-26-14-13-25(18-30(26)36-32(27)28)31-20(2)34-22(4)35-21(31)3/h8,11-19,23H,5-7,9-10H2,1-4H3
InChIKeyWCGKYJAKHRCXHV-UHFFFAOYSA-N
XLogP8.71
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.64
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[6-[4-(1-cyclohexylethyl)-2-pyridinyl]dibenzofuran-3-yl]-2,4,6-trimethylpyrimidine with MolForge

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Related Compounds

4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine
CID 166574332
4-(3-methylbutan-2-yl)-2-(7-naphthalen-1-yldibenzofuran-4-yl)pyridine
CID 155611887
4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine
CID 166573548
2-[7-(3,5-dimethylphenyl)dibenzofuran-4-yl]-4-pentan-3-ylpyridine
CID 166574932
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine
CID 162708190
4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 155611017
2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine
CID 165169386
2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine
CID 162707337
2-cyclopentyl-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 140791495
4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine
CID 166575689

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-(1-cyclohexylethyl)-2-pyridinyl]dibenzofuran-3-yl]-2,4,6-trimethylpyrimidine?
The IUPAC name of 5-[6-[4-(1-cyclohexylethyl)-2-pyridinyl]dibenzofuran-3-yl]-2,4,6-trimethylpyrimidine (CID 155610773) is 5-[6-[4-(1-cyclohexylethyl)-2-pyridinyl]dibenzofuran-3-yl]-2,4,6-trimethylpyrimidine.
What is the SMILES notation for 5-[6-[4-(1-cyclohexylethyl)-2-pyridinyl]dibenzofuran-3-yl]-2,4,6-trimethylpyrimidine?
The canonical SMILES for 5-[6-[4-(1-cyclohexylethyl)-2-pyridinyl]dibenzofuran-3-yl]-2,4,6-trimethylpyrimidine is Cc1nc(C)c(-c2ccc3c(c2)oc2c(-c4cc(C(C)C5CCCCC5)ccn4)cccc23)c(C)n1.
What is the InChIKey of 5-[6-[4-(1-cyclohexylethyl)-2-pyridinyl]dibenzofuran-3-yl]-2,4,6-trimethylpyrimidine?
The InChIKey is WCGKYJAKHRCXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O/c1-19(23-9-6-5-7-10-23)24-15-16-33-29(17-24)28-12-8-11-27-26-14-13-25(18-30(26)36-32(27)28)31-20(2)34-22(4)35-21(31)3/h8,11-19,23H,5-7,9-10H2,1-4H3.
What are the key properties of 5-[6-[4-(1-cyclohexylethyl)-2-pyridinyl]dibenzofuran-3-yl]-2,4,6-trimethylpyrimidine?
5-[6-[4-(1-cyclohexylethyl)-2-pyridinyl]dibenzofuran-3-yl]-2,4,6-trimethylpyrimidine has a molecular weight of 475.64 g/mol, XLogP of 8.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-(1-cyclohexylethyl)-2-pyridinyl]dibenzofuran-3-yl]-2,4,6-trimethylpyrimidine is sourced from PubChem (CID 155610773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).