4-(3-methylbutan-2-yl)-2-(7-naphthalen-1-yldibenzofuran-4-yl)pyridine

C32H27NO — CID 155611887

IUPAC4-(3-methylbutan-2-yl)-2-(7-naphthalen-1-yldibenzofuran-4-yl)pyridine
SMILESCC(C)C(C)c1ccnc(-c2cccc3c2oc2cc(-c4cccc5ccccc45)ccc23)c1
InChIInChI=1S/C32H27NO/c1-20(2)21(3)23-16-17-33-30(18-23)29-13-7-12-28-27-15-14-24(19-31(27)34-32(28)29)26-11-6-9-22-8-4-5-10-25(22)26/h4-21H,1-3H3
InChIKeySFQAHGNDPSHMBJ-UHFFFAOYSA-N
MW441.57 g/mol
LogP9.23
Rot. Bonds4

About 4-(3-methylbutan-2-yl)-2-(7-naphthalen-1-yldibenzofuran-4-yl)pyridine

4-(3-methylbutan-2-yl)-2-(7-naphthalen-1-yldibenzofuran-4-yl)pyridine (PubChem CID 155611887) has the molecular formula C32H27NO and a molecular weight of 441.57 g/mol. Its IUPAC name is 4-(3-methylbutan-2-yl)-2-(7-naphthalen-1-yldibenzofuran-4-yl)pyridine.

Molecular Properties

Compound Name4-(3-methylbutan-2-yl)-2-(7-naphthalen-1-yldibenzofuran-4-yl)pyridine
PubChem CID155611887
Molecular FormulaC32H27NO
Molecular Weight441.57 g/mol
Exact Mass441.21
IUPAC Name4-(3-methylbutan-2-yl)-2-(7-naphthalen-1-yldibenzofuran-4-yl)pyridine
SMILESCC(C)C(C)c1ccnc(-c2cccc3c2oc2cc(-c4cccc5ccccc45)ccc23)c1
InChIInChI=1S/C32H27NO/c1-20(2)21(3)23-16-17-33-30(18-23)29-13-7-12-28-27-15-14-24(19-31(27)34-32(28)29)26-11-6-9-22-8-4-5-10-25(22)26/h4-21H,1-3H3
InChIKeySFQAHGNDPSHMBJ-UHFFFAOYSA-N
XLogP9.23
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.57
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine
CID 166573548
2-[7-(3,5-dimethylphenyl)dibenzofuran-4-yl]-4-pentan-3-ylpyridine
CID 166574932
8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-3-phenyl-[1]benzofuro[2,3-b]pyridine
CID 155611435
2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine
CID 162707337
2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine
CID 162708190
2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine
CID 165169386
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine
CID 166575689
5-[6-[4-(1-cyclohexylethyl)-2-pyridinyl]dibenzofuran-3-yl]-2,4,6-trimethylpyrimidine
CID 155610773
2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine
CID 166573759

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutan-2-yl)-2-(7-naphthalen-1-yldibenzofuran-4-yl)pyridine?
The IUPAC name of 4-(3-methylbutan-2-yl)-2-(7-naphthalen-1-yldibenzofuran-4-yl)pyridine (CID 155611887) is 4-(3-methylbutan-2-yl)-2-(7-naphthalen-1-yldibenzofuran-4-yl)pyridine.
What is the SMILES notation for 4-(3-methylbutan-2-yl)-2-(7-naphthalen-1-yldibenzofuran-4-yl)pyridine?
The canonical SMILES for 4-(3-methylbutan-2-yl)-2-(7-naphthalen-1-yldibenzofuran-4-yl)pyridine is CC(C)C(C)c1ccnc(-c2cccc3c2oc2cc(-c4cccc5ccccc45)ccc23)c1.
What is the InChIKey of 4-(3-methylbutan-2-yl)-2-(7-naphthalen-1-yldibenzofuran-4-yl)pyridine?
The InChIKey is SFQAHGNDPSHMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27NO/c1-20(2)21(3)23-16-17-33-30(18-23)29-13-7-12-28-27-15-14-24(19-31(27)34-32(28)29)26-11-6-9-22-8-4-5-10-25(22)26/h4-21H,1-3H3.
What are the key properties of 4-(3-methylbutan-2-yl)-2-(7-naphthalen-1-yldibenzofuran-4-yl)pyridine?
4-(3-methylbutan-2-yl)-2-(7-naphthalen-1-yldibenzofuran-4-yl)pyridine has a molecular weight of 441.57 g/mol, XLogP of 9.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutan-2-yl)-2-(7-naphthalen-1-yldibenzofuran-4-yl)pyridine is sourced from PubChem (CID 155611887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).