4-(2-phenylpropan-2-yl)-2-(6-propan-2-yldibenzofuran-4-yl)pyridine

C29H27NO — CID 162708532

IUPAC4-(2-phenylpropan-2-yl)-2-(6-propan-2-yldibenzofuran-4-yl)pyridine
SMILESCC(C)c1cccc2c1oc1c(-c3cc(C(C)(C)c4ccccc4)ccn3)cccc12
InChIInChI=1S/C29H27NO/c1-19(2)22-12-8-13-23-24-14-9-15-25(28(24)31-27(22)23)26-18-21(16-17-30-26)29(3,4)20-10-6-5-7-11-20/h5-19H,1-4H3
InChIKeyOQURYFKQMPUNRM-UHFFFAOYSA-N
MW405.54 g/mol
LogP8.10
Rot. Bonds4

About 4-(2-phenylpropan-2-yl)-2-(6-propan-2-yldibenzofuran-4-yl)pyridine

4-(2-phenylpropan-2-yl)-2-(6-propan-2-yldibenzofuran-4-yl)pyridine (PubChem CID 162708532) has the molecular formula C29H27NO and a molecular weight of 405.54 g/mol. Its IUPAC name is 4-(2-phenylpropan-2-yl)-2-(6-propan-2-yldibenzofuran-4-yl)pyridine.

Molecular Properties

Compound Name4-(2-phenylpropan-2-yl)-2-(6-propan-2-yldibenzofuran-4-yl)pyridine
PubChem CID162708532
Molecular FormulaC29H27NO
Molecular Weight405.54 g/mol
Exact Mass405.21
IUPAC Name4-(2-phenylpropan-2-yl)-2-(6-propan-2-yldibenzofuran-4-yl)pyridine
SMILESCC(C)c1cccc2c1oc1c(-c3cc(C(C)(C)c4ccccc4)ccn3)cccc12
InChIInChI=1S/C29H27NO/c1-19(2)22-12-8-13-23-24-14-9-15-25(28(24)31-27(22)23)26-18-21(16-17-30-26)29(3,4)20-10-6-5-7-11-20/h5-19H,1-4H3
InChIKeyOQURYFKQMPUNRM-UHFFFAOYSA-N
XLogP8.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
CID 162708303
4-[2-(4-fluorophenyl)propan-2-yl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
CID 162707580
2-[6-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162707082
4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
CID 167425322
2-[6-(2,6-difluoro-4-phenylphenyl)dibenzofuran-4-yl]-4-[2,6-di(propan-2-yl)phenyl]pyridine
CID 169301549
2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine
CID 166574499
1,3,5-trimethyl-8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine
CID 162710621
2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
CID 162709213
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine
CID 155610480
4-[4-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]benzonitrile
CID 170546327

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylpropan-2-yl)-2-(6-propan-2-yldibenzofuran-4-yl)pyridine?
The IUPAC name of 4-(2-phenylpropan-2-yl)-2-(6-propan-2-yldibenzofuran-4-yl)pyridine (CID 162708532) is 4-(2-phenylpropan-2-yl)-2-(6-propan-2-yldibenzofuran-4-yl)pyridine.
What is the SMILES notation for 4-(2-phenylpropan-2-yl)-2-(6-propan-2-yldibenzofuran-4-yl)pyridine?
The canonical SMILES for 4-(2-phenylpropan-2-yl)-2-(6-propan-2-yldibenzofuran-4-yl)pyridine is CC(C)c1cccc2c1oc1c(-c3cc(C(C)(C)c4ccccc4)ccn3)cccc12.
What is the InChIKey of 4-(2-phenylpropan-2-yl)-2-(6-propan-2-yldibenzofuran-4-yl)pyridine?
The InChIKey is OQURYFKQMPUNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO/c1-19(2)22-12-8-13-23-24-14-9-15-25(28(24)31-27(22)23)26-18-21(16-17-30-26)29(3,4)20-10-6-5-7-11-20/h5-19H,1-4H3.
What are the key properties of 4-(2-phenylpropan-2-yl)-2-(6-propan-2-yldibenzofuran-4-yl)pyridine?
4-(2-phenylpropan-2-yl)-2-(6-propan-2-yldibenzofuran-4-yl)pyridine has a molecular weight of 405.54 g/mol, XLogP of 8.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylpropan-2-yl)-2-(6-propan-2-yldibenzofuran-4-yl)pyridine is sourced from PubChem (CID 162708532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).