5-methyl-4-(2-methylpropyl)-2-[9-(2-phenylpropan-2-yl)dibenzofuran-2-yl]pyridine

C31H31NO — CID 162708883

IUPAC5-methyl-4-(2-methylpropyl)-2-[9-(2-phenylpropan-2-yl)dibenzofuran-2-yl]pyridine
SMILESCc1cnc(-c2ccc3oc4cccc(C(C)(C)c5ccccc5)c4c3c2)cc1CC(C)C
InChIInChI=1S/C31H31NO/c1-20(2)16-23-18-27(32-19-21(23)3)22-14-15-28-25(17-22)30-26(12-9-13-29(30)33-28)31(4,5)24-10-7-6-8-11-24/h6-15,17-20H,16H2,1-5H3
InChIKeyGZJGNMRHVIVRPD-UHFFFAOYSA-N
MW433.60 g/mol
LogP8.48
Rot. Bonds5

About 5-methyl-4-(2-methylpropyl)-2-[9-(2-phenylpropan-2-yl)dibenzofuran-2-yl]pyridine

5-methyl-4-(2-methylpropyl)-2-[9-(2-phenylpropan-2-yl)dibenzofuran-2-yl]pyridine (PubChem CID 162708883) has the molecular formula C31H31NO and a molecular weight of 433.60 g/mol. Its IUPAC name is 5-methyl-4-(2-methylpropyl)-2-[9-(2-phenylpropan-2-yl)dibenzofuran-2-yl]pyridine.

Molecular Properties

Compound Name5-methyl-4-(2-methylpropyl)-2-[9-(2-phenylpropan-2-yl)dibenzofuran-2-yl]pyridine
PubChem CID162708883
Molecular FormulaC31H31NO
Molecular Weight433.60 g/mol
Exact Mass433.24
IUPAC Name5-methyl-4-(2-methylpropyl)-2-[9-(2-phenylpropan-2-yl)dibenzofuran-2-yl]pyridine
SMILESCc1cnc(-c2ccc3oc4cccc(C(C)(C)c5ccccc5)c4c3c2)cc1CC(C)C
InChIInChI=1S/C31H31NO/c1-20(2)16-23-18-27(32-19-21(23)3)22-14-15-28-25(17-22)30-26(12-9-13-29(30)33-28)31(4,5)24-10-7-6-8-11-24/h6-15,17-20H,16H2,1-5H3
InChIKeyGZJGNMRHVIVRPD-UHFFFAOYSA-N
XLogP8.48
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162708849
4-(2-methylpropyl)-5-(trideuteriomethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-2-yl]pyridine
CID 155612380
2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-4-(2-phenylpropan-2-yl)pyridine
CID 162707939
4-benzyl-2-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
CID 162708647
[6-(1,3-dimethyl-[1]benzofuro[2,3-c]pyridin-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylsilane
CID 140719967
3-(5-methyl-4-phenyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 162709104
2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine
CID 162707916
(6-dibenzofuran-2-yl-3-pyridinyl)-methyl-diphenylsilane
CID 140719613
1-methyl-4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7-(1-phenylethyl)-[1]benzofuro[3,2-c]pyridine
CID 162710494
5-(1-deuterio-1-phenylethyl)-2-dibenzofuran-2-yl-4-[dideuterio(phenyl)methyl]pyridine
CID 162710557
2-(8-tert-butyldibenzofuran-2-yl)-4-(cyclopentylmethyl)-5-propan-2-ylpyridine
CID 155611178
2-(9-benzyldibenzofuran-2-yl)-4-fluoropyridine
CID 162707230

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylpropyl)-2-[9-(2-phenylpropan-2-yl)dibenzofuran-2-yl]pyridine?
The IUPAC name of 5-methyl-4-(2-methylpropyl)-2-[9-(2-phenylpropan-2-yl)dibenzofuran-2-yl]pyridine (CID 162708883) is 5-methyl-4-(2-methylpropyl)-2-[9-(2-phenylpropan-2-yl)dibenzofuran-2-yl]pyridine.
What is the SMILES notation for 5-methyl-4-(2-methylpropyl)-2-[9-(2-phenylpropan-2-yl)dibenzofuran-2-yl]pyridine?
The canonical SMILES for 5-methyl-4-(2-methylpropyl)-2-[9-(2-phenylpropan-2-yl)dibenzofuran-2-yl]pyridine is Cc1cnc(-c2ccc3oc4cccc(C(C)(C)c5ccccc5)c4c3c2)cc1CC(C)C.
What is the InChIKey of 5-methyl-4-(2-methylpropyl)-2-[9-(2-phenylpropan-2-yl)dibenzofuran-2-yl]pyridine?
The InChIKey is GZJGNMRHVIVRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO/c1-20(2)16-23-18-27(32-19-21(23)3)22-14-15-28-25(17-22)30-26(12-9-13-29(30)33-28)31(4,5)24-10-7-6-8-11-24/h6-15,17-20H,16H2,1-5H3.
What are the key properties of 5-methyl-4-(2-methylpropyl)-2-[9-(2-phenylpropan-2-yl)dibenzofuran-2-yl]pyridine?
5-methyl-4-(2-methylpropyl)-2-[9-(2-phenylpropan-2-yl)dibenzofuran-2-yl]pyridine has a molecular weight of 433.60 g/mol, XLogP of 8.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylpropyl)-2-[9-(2-phenylpropan-2-yl)dibenzofuran-2-yl]pyridine is sourced from PubChem (CID 162708883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).