3-[4-[6-[4-(4-tert-butylphenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine

C39H31NO — CID 171760818

IUPAC3-[4-[6-[4-(4-tert-butylphenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
SMILESCC(C)(C)c1ccc(-c2ccc(-c3cccc4c3oc3c(-c5ccc(-c6cccnc6)cc5)cccc34)cc2)cc1
InChIInChI=1S/C39H31NO/c1-39(2,3)32-22-20-27(21-23-32)26-12-16-29(17-13-26)33-8-4-10-35-36-11-5-9-34(38(36)41-37(33)35)30-18-14-28(15-19-30)31-7-6-24-40-25-31/h4-25H,1-3H3
InChIKeyOLWBOOMBSQEFAM-UHFFFAOYSA-N
MW529.68 g/mol
LogP10.95
Rot. Bonds4

About 3-[4-[6-[4-(4-tert-butylphenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine

3-[4-[6-[4-(4-tert-butylphenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine (PubChem CID 171760818) has the molecular formula C39H31NO and a molecular weight of 529.68 g/mol. Its IUPAC name is 3-[4-[6-[4-(4-tert-butylphenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-[4-[6-[4-(4-tert-butylphenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
PubChem CID171760818
Molecular FormulaC39H31NO
Molecular Weight529.68 g/mol
Exact Mass529.24
IUPAC Name3-[4-[6-[4-(4-tert-butylphenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
SMILESCC(C)(C)c1ccc(-c2ccc(-c3cccc4c3oc3c(-c5ccc(-c6cccnc6)cc5)cccc34)cc2)cc1
InChIInChI=1S/C39H31NO/c1-39(2,3)32-22-20-27(21-23-32)26-12-16-29(17-13-26)33-8-4-10-35-36-11-5-9-34(38(36)41-37(33)35)30-18-14-28(15-19-30)31-7-6-24-40-25-31/h4-25H,1-3H3
InChIKeyOLWBOOMBSQEFAM-UHFFFAOYSA-N
XLogP10.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.68
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine
CID 171761270
3-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]pyridine
CID 90764339
3-[4-[6-(4-isocyanophenyl)dibenzofuran-4-yl]phenyl]pyridine
CID 171760936
3-[4-[6-[4-(2-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
CID 171760974
2,4-diphenyl-6-[2-[6-(4-pyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 171761124
3-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]pyridine
CID 171760954
2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine
CID 166574499
3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine
CID 171760889
3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine
CID 175610202
4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile
CID 175610644
3-[3-(3,5-dipyridin-3-ylphenyl)-5-[6-(4-isocyanophenyl)dibenzofuran-4-yl]phenyl]pyridine
CID 171761299
2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine
CID 171760904

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-[4-(4-tert-butylphenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine?
The IUPAC name of 3-[4-[6-[4-(4-tert-butylphenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine (CID 171760818) is 3-[4-[6-[4-(4-tert-butylphenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine.
What is the SMILES notation for 3-[4-[6-[4-(4-tert-butylphenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine?
The canonical SMILES for 3-[4-[6-[4-(4-tert-butylphenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine is CC(C)(C)c1ccc(-c2ccc(-c3cccc4c3oc3c(-c5ccc(-c6cccnc6)cc5)cccc34)cc2)cc1.
What is the InChIKey of 3-[4-[6-[4-(4-tert-butylphenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine?
The InChIKey is OLWBOOMBSQEFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31NO/c1-39(2,3)32-22-20-27(21-23-32)26-12-16-29(17-13-26)33-8-4-10-35-36-11-5-9-34(38(36)41-37(33)35)30-18-14-28(15-19-30)31-7-6-24-40-25-31/h4-25H,1-3H3.
What are the key properties of 3-[4-[6-[4-(4-tert-butylphenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine?
3-[4-[6-[4-(4-tert-butylphenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine has a molecular weight of 529.68 g/mol, XLogP of 10.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-[4-(4-tert-butylphenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine is sourced from PubChem (CID 171760818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).