4-[2-(4-fluorophenyl)propan-2-yl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine

C30H22FNO — CID 162707580

IUPAC4-[2-(4-fluorophenyl)propan-2-yl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
SMILESCC(C)(c1ccc(F)cc1)c1ccnc(-c2cccc3c2oc2c4ccccc4ccc32)c1
InChIInChI=1S/C30H22FNO/c1-30(2,20-11-13-22(31)14-12-20)21-16-17-32-27(18-21)26-9-5-8-24-25-15-10-19-6-3-4-7-23(19)28(25)33-29(24)26/h3-18H,1-2H3
InChIKeyNXAHCHZBOGJYHT-UHFFFAOYSA-N
MW431.51 g/mol
LogP8.27
Rot. Bonds3

About 4-[2-(4-fluorophenyl)propan-2-yl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine

4-[2-(4-fluorophenyl)propan-2-yl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine (PubChem CID 162707580) has the molecular formula C30H22FNO and a molecular weight of 431.51 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)propan-2-yl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)propan-2-yl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
PubChem CID162707580
Molecular FormulaC30H22FNO
Molecular Weight431.51 g/mol
Exact Mass431.17
IUPAC Name4-[2-(4-fluorophenyl)propan-2-yl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
SMILESCC(C)(c1ccc(F)cc1)c1ccnc(-c2cccc3c2oc2c4ccccc4ccc32)c1
InChIInChI=1S/C30H22FNO/c1-30(2,20-11-13-22(31)14-12-20)21-16-17-32-27(18-21)26-9-5-8-24-25-15-10-19-6-3-4-7-23(19)28(25)33-29(24)26/h3-18H,1-2H3
InChIKeyNXAHCHZBOGJYHT-UHFFFAOYSA-N
XLogP8.27
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.51
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-phenylpropan-2-yl)-2-(6-propan-2-yldibenzofuran-4-yl)pyridine
CID 162708532
4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
4-[4-(3-methylpentan-3-yl)-2-(trideuteriomethyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-yl-5-(trideuteriomethyl)pyridine
CID 157144601
4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
CID 167425322
4-(2,2-dimethylpropyl)-2-(7-fluorodibenzofuran-4-yl)pyridine
CID 170777206
4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
CID 166172190
5-methyl-2-naphtho[1,2-b][1]benzofuran-10-yl-4-(2,4,5-trimethylphenyl)pyridine
CID 155785024
2-methyl-6-(2-naphtho[1,2-b][1]benzofuran-10-yl-4-pyridinyl)quinoline
CID 176779185
2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
CID 162709213
2-(4-fluorophenyl)-4-(2-phenylpropan-2-yl)pyridine
CID 162708789
4-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(trideuteriomethyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
CID 166043874

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)propan-2-yl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine?
The IUPAC name of 4-[2-(4-fluorophenyl)propan-2-yl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine (CID 162707580) is 4-[2-(4-fluorophenyl)propan-2-yl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)propan-2-yl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine?
The canonical SMILES for 4-[2-(4-fluorophenyl)propan-2-yl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine is CC(C)(c1ccc(F)cc1)c1ccnc(-c2cccc3c2oc2c4ccccc4ccc32)c1.
What is the InChIKey of 4-[2-(4-fluorophenyl)propan-2-yl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine?
The InChIKey is NXAHCHZBOGJYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22FNO/c1-30(2,20-11-13-22(31)14-12-20)21-16-17-32-27(18-21)26-9-5-8-24-25-15-10-19-6-3-4-7-23(19)28(25)33-29(24)26/h3-18H,1-2H3.
What are the key properties of 4-[2-(4-fluorophenyl)propan-2-yl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine?
4-[2-(4-fluorophenyl)propan-2-yl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine has a molecular weight of 431.51 g/mol, XLogP of 8.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)propan-2-yl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine is sourced from PubChem (CID 162707580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).