5-tert-butyl-4-fluoro-2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine

C39H29F2NO — CID 170152904

IUPAC5-tert-butyl-4-fluoro-2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine
SMILESCC(C)(C)c1cnc(-c2cccc3c2oc2c(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c(F)ccc23)cc1F
InChIInChI=1S/C39H29F2NO/c1-39(2,3)32-23-42-35(22-34(32)41)31-11-7-10-29-30-20-21-33(40)36(38(30)43-37(29)31)28-18-16-27(17-19-28)26-14-12-25(13-15-26)24-8-5-4-6-9-24/h4-23H,1-3H3
InChIKeyHVQHLFBFVHYJQS-UHFFFAOYSA-N
MW565.66 g/mol
LogP11.22
Rot. Bonds4

About 5-tert-butyl-4-fluoro-2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine

5-tert-butyl-4-fluoro-2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine (PubChem CID 170152904) has the molecular formula C39H29F2NO and a molecular weight of 565.66 g/mol. Its IUPAC name is 5-tert-butyl-4-fluoro-2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine.

Molecular Properties

Compound Name5-tert-butyl-4-fluoro-2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine
PubChem CID170152904
Molecular FormulaC39H29F2NO
Molecular Weight565.66 g/mol
Exact Mass565.22
IUPAC Name5-tert-butyl-4-fluoro-2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine
SMILESCC(C)(C)c1cnc(-c2cccc3c2oc2c(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c(F)ccc23)cc1F
InChIInChI=1S/C39H29F2NO/c1-39(2,3)32-23-42-35(22-34(32)41)31-11-7-10-29-30-20-21-33(40)36(38(30)43-37(29)31)28-18-16-27(17-19-28)26-14-12-25(13-15-26)24-8-5-4-6-9-24/h4-23H,1-3H3
InChIKeyHVQHLFBFVHYJQS-UHFFFAOYSA-N
XLogP11.22
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.66
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine
CID 165385994
8-(5-tert-butyl-4-methyl-2-pyridinyl)-2-(2,6-dimethyl-4-phenylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 168827554
6-(5-tert-butyl-4-fluoro-2-pyridinyl)-5,5-dimethyl-4-(4-phenylphenyl)dibenzothiophene-3-carbonitrile
CID 170152650
2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine
CID 166574499
4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[7-(1,1-difluoro-2,2-dimethylpropyl)-6-phenyldibenzofuran-4-yl]-5-(trideuteriomethyl)pyridine
CID 176583946
2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine
CID 168731031
2-(6-methyldibenzofuran-4-yl)-4-phenylpyridine
CID 140775821
2,4-ditert-butyl-6-[4-[3-[6-(4,5-dimethyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 164760528
4-tert-butyl-2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-5-methylpyridine
CID 168829853
trimethyl-[4-phenyl-6-(4-propan-2-yl-2-pyridinyl)dibenzofuran-3-yl]germane
CID 164832486
6-(4-tert-butylphenyl)-3-phenyl-[1]benzofuro[3,2-c]pyridine
CID 154728765

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-fluoro-2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine?
The IUPAC name of 5-tert-butyl-4-fluoro-2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine (CID 170152904) is 5-tert-butyl-4-fluoro-2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine.
What is the SMILES notation for 5-tert-butyl-4-fluoro-2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine?
The canonical SMILES for 5-tert-butyl-4-fluoro-2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine is CC(C)(C)c1cnc(-c2cccc3c2oc2c(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c(F)ccc23)cc1F.
What is the InChIKey of 5-tert-butyl-4-fluoro-2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine?
The InChIKey is HVQHLFBFVHYJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29F2NO/c1-39(2,3)32-23-42-35(22-34(32)41)31-11-7-10-29-30-20-21-33(40)36(38(30)43-37(29)31)28-18-16-27(17-19-28)26-14-12-25(13-15-26)24-8-5-4-6-9-24/h4-23H,1-3H3.
What are the key properties of 5-tert-butyl-4-fluoro-2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine?
5-tert-butyl-4-fluoro-2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine has a molecular weight of 565.66 g/mol, XLogP of 11.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-fluoro-2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine is sourced from PubChem (CID 170152904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).