2-(1-tert-butyl-7-phenyldibenzofuran-4-yl)-4-cyclohexylpyridine

C33H33NO — CID 166574273

IUPAC2-(1-tert-butyl-7-phenyldibenzofuran-4-yl)-4-cyclohexylpyridine
SMILESCC(C)(C)c1ccc(-c2cc(C3CCCCC3)ccn2)c2oc3cc(-c4ccccc4)ccc3c12
InChIInChI=1S/C33H33NO/c1-33(2,3)28-17-16-26(29-20-25(18-19-34-29)23-12-8-5-9-13-23)32-31(28)27-15-14-24(21-30(27)35-32)22-10-6-4-7-11-22/h4,6-7,10-11,14-21,23H,5,8-9,12-13H2,1-3H3
InChIKeyONFHFSJLEOULPY-UHFFFAOYSA-N
MW459.63 g/mol
LogP9.66
Rot. Bonds3

About 2-(1-tert-butyl-7-phenyldibenzofuran-4-yl)-4-cyclohexylpyridine

2-(1-tert-butyl-7-phenyldibenzofuran-4-yl)-4-cyclohexylpyridine (PubChem CID 166574273) has the molecular formula C33H33NO and a molecular weight of 459.63 g/mol. Its IUPAC name is 2-(1-tert-butyl-7-phenyldibenzofuran-4-yl)-4-cyclohexylpyridine.

Molecular Properties

Compound Name2-(1-tert-butyl-7-phenyldibenzofuran-4-yl)-4-cyclohexylpyridine
PubChem CID166574273
Molecular FormulaC33H33NO
Molecular Weight459.63 g/mol
Exact Mass459.26
IUPAC Name2-(1-tert-butyl-7-phenyldibenzofuran-4-yl)-4-cyclohexylpyridine
SMILESCC(C)(C)c1ccc(-c2cc(C3CCCCC3)ccn2)c2oc3cc(-c4ccccc4)ccc3c12
InChIInChI=1S/C33H33NO/c1-33(2,3)28-17-16-26(29-20-25(18-19-34-29)23-12-8-5-9-13-23)32-31(28)27-15-14-24(21-30(27)35-32)22-10-6-4-7-11-22/h4,6-7,10-11,14-21,23H,5,8-9,12-13H2,1-3H3
InChIKeyONFHFSJLEOULPY-UHFFFAOYSA-N
XLogP9.66
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-tert-butyl-6,8-diphenyldibenzofuran-4-yl)-4-cyclohexylpyridine
CID 171435652
4-cyclohexyl-2-(6,8-diphenyldibenzofuran-4-yl)pyridine
CID 166573869
4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 155611017
4-cyclohexyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 166573664
9-tert-butyl-6-[4-(4-tert-butylphenyl)-2-pyridinyl]-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile
CID 176728745
4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039273
4-cyclopropyl-2-(2-methyl-5-phenylphenyl)pyridine
CID 129076459
4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 155612348
2-(1-fluoro-7-phenyldibenzofuran-4-yl)-4-propan-2-ylpyridine
CID 166573402
4-cyclohexyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-[4-(2,6-dimethyl-4-pyridinyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
CID 166573540
2-(4-tert-butylphenyl)-4-cyclopentylpyridine
CID 140722906
4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 169038715

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-7-phenyldibenzofuran-4-yl)-4-cyclohexylpyridine?
The IUPAC name of 2-(1-tert-butyl-7-phenyldibenzofuran-4-yl)-4-cyclohexylpyridine (CID 166574273) is 2-(1-tert-butyl-7-phenyldibenzofuran-4-yl)-4-cyclohexylpyridine.
What is the SMILES notation for 2-(1-tert-butyl-7-phenyldibenzofuran-4-yl)-4-cyclohexylpyridine?
The canonical SMILES for 2-(1-tert-butyl-7-phenyldibenzofuran-4-yl)-4-cyclohexylpyridine is CC(C)(C)c1ccc(-c2cc(C3CCCCC3)ccn2)c2oc3cc(-c4ccccc4)ccc3c12.
What is the InChIKey of 2-(1-tert-butyl-7-phenyldibenzofuran-4-yl)-4-cyclohexylpyridine?
The InChIKey is ONFHFSJLEOULPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33NO/c1-33(2,3)28-17-16-26(29-20-25(18-19-34-29)23-12-8-5-9-13-23)32-31(28)27-15-14-24(21-30(27)35-32)22-10-6-4-7-11-22/h4,6-7,10-11,14-21,23H,5,8-9,12-13H2,1-3H3.
What are the key properties of 2-(1-tert-butyl-7-phenyldibenzofuran-4-yl)-4-cyclohexylpyridine?
2-(1-tert-butyl-7-phenyldibenzofuran-4-yl)-4-cyclohexylpyridine has a molecular weight of 459.63 g/mol, XLogP of 9.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-7-phenyldibenzofuran-4-yl)-4-cyclohexylpyridine is sourced from PubChem (CID 166574273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).