2-(1-tert-butyl-6,8-diphenyldibenzofuran-4-yl)-4-cyclohexylpyridine

C39H37NO — CID 171435652

IUPAC2-(1-tert-butyl-6,8-diphenyldibenzofuran-4-yl)-4-cyclohexylpyridine
SMILESCC(C)(C)c1ccc(-c2cc(C3CCCCC3)ccn2)c2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c12
InChIInChI=1S/C39H37NO/c1-39(2,3)34-20-19-31(35-25-29(21-22-40-35)26-13-7-4-8-14-26)38-36(34)33-24-30(27-15-9-5-10-16-27)23-32(37(33)41-38)28-17-11-6-12-18-28/h5-6,9-12,15-26H,4,7-8,13-14H2,1-3H3
InChIKeyXZRFVUGBWUULNB-UHFFFAOYSA-N
MW535.73 g/mol
LogP11.33
Rot. Bonds4

About 2-(1-tert-butyl-6,8-diphenyldibenzofuran-4-yl)-4-cyclohexylpyridine

2-(1-tert-butyl-6,8-diphenyldibenzofuran-4-yl)-4-cyclohexylpyridine (PubChem CID 171435652) has the molecular formula C39H37NO and a molecular weight of 535.73 g/mol. Its IUPAC name is 2-(1-tert-butyl-6,8-diphenyldibenzofuran-4-yl)-4-cyclohexylpyridine.

Molecular Properties

Compound Name2-(1-tert-butyl-6,8-diphenyldibenzofuran-4-yl)-4-cyclohexylpyridine
PubChem CID171435652
Molecular FormulaC39H37NO
Molecular Weight535.73 g/mol
Exact Mass535.29
IUPAC Name2-(1-tert-butyl-6,8-diphenyldibenzofuran-4-yl)-4-cyclohexylpyridine
SMILESCC(C)(C)c1ccc(-c2cc(C3CCCCC3)ccn2)c2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c12
InChIInChI=1S/C39H37NO/c1-39(2,3)34-20-19-31(35-25-29(21-22-40-35)26-13-7-4-8-14-26)38-36(34)33-24-30(27-15-9-5-10-16-27)23-32(37(33)41-38)28-17-11-6-12-18-28/h5-6,9-12,15-26H,4,7-8,13-14H2,1-3H3
InChIKeyXZRFVUGBWUULNB-UHFFFAOYSA-N
XLogP11.33
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.73
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-tert-butyl-7-phenyldibenzofuran-4-yl)-4-cyclohexylpyridine
CID 166574273
4-cyclohexyl-2-(6,8-diphenyldibenzofuran-4-yl)pyridine
CID 166573869
4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 155612348
4-cyclopropyl-2-(2-methyl-5-phenylphenyl)pyridine
CID 129076459
4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
2-(4-tert-butylphenyl)-4-cyclopentylpyridine
CID 140722906
4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039273
9-tert-butyl-6-[4-(4-tert-butylphenyl)-2-pyridinyl]-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile
CID 176728745
2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine
CID 166574499
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
[4-(4-cyclohexyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane
CID 155608457
(4,6,8-triphenyldibenzofuran-1-yl)methanimine
CID 153340539

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-6,8-diphenyldibenzofuran-4-yl)-4-cyclohexylpyridine?
The IUPAC name of 2-(1-tert-butyl-6,8-diphenyldibenzofuran-4-yl)-4-cyclohexylpyridine (CID 171435652) is 2-(1-tert-butyl-6,8-diphenyldibenzofuran-4-yl)-4-cyclohexylpyridine.
What is the SMILES notation for 2-(1-tert-butyl-6,8-diphenyldibenzofuran-4-yl)-4-cyclohexylpyridine?
The canonical SMILES for 2-(1-tert-butyl-6,8-diphenyldibenzofuran-4-yl)-4-cyclohexylpyridine is CC(C)(C)c1ccc(-c2cc(C3CCCCC3)ccn2)c2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c12.
What is the InChIKey of 2-(1-tert-butyl-6,8-diphenyldibenzofuran-4-yl)-4-cyclohexylpyridine?
The InChIKey is XZRFVUGBWUULNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37NO/c1-39(2,3)34-20-19-31(35-25-29(21-22-40-35)26-13-7-4-8-14-26)38-36(34)33-24-30(27-15-9-5-10-16-27)23-32(37(33)41-38)28-17-11-6-12-18-28/h5-6,9-12,15-26H,4,7-8,13-14H2,1-3H3.
What are the key properties of 2-(1-tert-butyl-6,8-diphenyldibenzofuran-4-yl)-4-cyclohexylpyridine?
2-(1-tert-butyl-6,8-diphenyldibenzofuran-4-yl)-4-cyclohexylpyridine has a molecular weight of 535.73 g/mol, XLogP of 11.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-6,8-diphenyldibenzofuran-4-yl)-4-cyclohexylpyridine is sourced from PubChem (CID 171435652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).