2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-cyclopropylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-propan-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-prop-1-en-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-(cyclopenten-1-yl)pyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-cyclopentylpyridine

C116H154Cl3N5O2 — CID 158574413

IUPAC2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-cyclopropylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-propan-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-prop-1-en-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-(cyclopenten-1-yl)pyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-cyclopentylpyridine
SMILESC=C(C)c1ccc(-c2cc(C(C)(C)C)ccc2Cl)c(C(C)(C)C)n1.CC(C)(C)c1ccc(Cl)c(-c2ccc(C3CC3)nc2C(C)(C)C)c1.CC(C)c1ccc(-c2cc(C(C)(C)C)ccc2Cl)c(C(C)(C)C)n1.COc1ccc(C(C)(C)C)cc1-c1ccc(C2=CCCC2)nc1C(C)(C)C.COc1ccc(C(C)(C)C)cc1-c1ccc(C2CCCC2)nc1C(C)(C)C
InChIInChI=1S/C25H35NO.C25H33NO.C22H28ClN.C22H30ClN.C22H28ClN/c2*1-24(2,3)18-12-15-22(27-7)20(16-18)19-13-14-21(17-10-8-9-11-17)26-23(19)25(4,5)6;1-21(2,3)15-9-11-18(23)17(13-15)16-10-12-19(14-7-8-14)24-20(16)22(4,5)6;2*1-14(2)19-12-10-16(20(24-19)22(6,7)8)17-13-15(21(3,4)5)9-11-18(17)23/h12-17H,8-11H2,1-7H3;10,12-16H,8-9,11H2,1-7H3;9-14H,7-8H2,1-6H3;9-14H,1-8H3;9-13H,1H2,2-8H3
InChIKeyHSMDTMNAOOFBCP-UHFFFAOYSA-N
MW1756.90 g/mol
LogP34.95
Rot. Bonds12

About 2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-cyclopropylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-propan-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-prop-1-en-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-(cyclopenten-1-yl)pyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-cyclopentylpyridine

2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-cyclopropylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-propan-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-prop-1-en-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-(cyclopenten-1-yl)pyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-cyclopentylpyridine (PubChem CID 158574413) has the molecular formula C116H154Cl3N5O2 and a molecular weight of 1756.90 g/mol. Its IUPAC name is 2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-cyclopropylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-propan-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-prop-1-en-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-(cyclopenten-1-yl)pyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-cyclopentylpyridine.

Molecular Properties

Compound Name2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-cyclopropylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-propan-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-prop-1-en-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-(cyclopenten-1-yl)pyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-cyclopentylpyridine
PubChem CID158574413
Molecular FormulaC116H154Cl3N5O2
Molecular Weight1756.90 g/mol
Exact Mass1754.12
IUPAC Name2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-cyclopropylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-propan-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-prop-1-en-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-(cyclopenten-1-yl)pyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-cyclopentylpyridine
SMILESC=C(C)c1ccc(-c2cc(C(C)(C)C)ccc2Cl)c(C(C)(C)C)n1.CC(C)(C)c1ccc(Cl)c(-c2ccc(C3CC3)nc2C(C)(C)C)c1.CC(C)c1ccc(-c2cc(C(C)(C)C)ccc2Cl)c(C(C)(C)C)n1.COc1ccc(C(C)(C)C)cc1-c1ccc(C2=CCCC2)nc1C(C)(C)C.COc1ccc(C(C)(C)C)cc1-c1ccc(C2CCCC2)nc1C(C)(C)C
InChIInChI=1S/C25H35NO.C25H33NO.C22H28ClN.C22H30ClN.C22H28ClN/c2*1-24(2,3)18-12-15-22(27-7)20(16-18)19-13-14-21(17-10-8-9-11-17)26-23(19)25(4,5)6;1-21(2,3)15-9-11-18(23)17(13-15)16-10-12-19(14-7-8-14)24-20(16)22(4,5)6;2*1-14(2)19-12-10-16(20(24-19)22(6,7)8)17-13-15(21(3,4)5)9-11-18(17)23/h12-17H,8-11H2,1-7H3;10,12-16H,8-9,11H2,1-7H3;9-14H,7-8H2,1-6H3;9-14H,1-8H3;9-13H,1H2,2-8H3
InChIKeyHSMDTMNAOOFBCP-UHFFFAOYSA-N
XLogP34.95
TPSA82.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001756.90
LogP ≤ 534.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-cyclopropylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-propan-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-prop-1-en-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-(cyclopenten-1-yl)pyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-cyclopentylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-cyclopropylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-propan-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-prop-1-en-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-(cyclopenten-1-yl)pyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-cyclopentylpyridine?
The IUPAC name of 2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-cyclopropylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-propan-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-prop-1-en-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-(cyclopenten-1-yl)pyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-cyclopentylpyridine (CID 158574413) is 2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-cyclopropylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-propan-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-prop-1-en-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-(cyclopenten-1-yl)pyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-cyclopentylpyridine.
What is the SMILES notation for 2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-cyclopropylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-propan-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-prop-1-en-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-(cyclopenten-1-yl)pyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-cyclopentylpyridine?
The canonical SMILES for 2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-cyclopropylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-propan-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-prop-1-en-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-(cyclopenten-1-yl)pyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-cyclopentylpyridine is C=C(C)c1ccc(-c2cc(C(C)(C)C)ccc2Cl)c(C(C)(C)C)n1.CC(C)(C)c1ccc(Cl)c(-c2ccc(C3CC3)nc2C(C)(C)C)c1.CC(C)c1ccc(-c2cc(C(C)(C)C)ccc2Cl)c(C(C)(C)C)n1.COc1ccc(C(C)(C)C)cc1-c1ccc(C2=CCCC2)nc1C(C)(C)C.COc1ccc(C(C)(C)C)cc1-c1ccc(C2CCCC2)nc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-cyclopropylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-propan-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-prop-1-en-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-(cyclopenten-1-yl)pyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-cyclopentylpyridine?
The InChIKey is HSMDTMNAOOFBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO.C25H33NO.C22H28ClN.C22H30ClN.C22H28ClN/c2*1-24(2,3)18-12-15-22(27-7)20(16-18)19-13-14-21(17-10-8-9-11-17)26-23(19)25(4,5)6;1-21(2,3)15-9-11-18(23)17(13-15)16-10-12-19(14-7-8-14)24-20(16)22(4,5)6;2*1-14(2)19-12-10-16(20(24-19)22(6,7)8)17-13-15(21(3,4)5)9-11-18(17)23/h12-17H,8-11H2,1-7H3;10,12-16H,8-9,11H2,1-7H3;9-14H,7-8H2,1-6H3;9-14H,1-8H3;9-13H,1H2,2-8H3.
What are the key properties of 2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-cyclopropylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-propan-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-prop-1-en-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-(cyclopenten-1-yl)pyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-cyclopentylpyridine?
2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-cyclopropylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-propan-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-prop-1-en-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-(cyclopenten-1-yl)pyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-cyclopentylpyridine has a molecular weight of 1756.90 g/mol, XLogP of 34.95, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-cyclopropylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-propan-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-chlorophenyl)-6-prop-1-en-2-ylpyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-(cyclopenten-1-yl)pyridine;2-tert-butyl-3-(5-tert-butyl-2-methoxyphenyl)-6-cyclopentylpyridine is sourced from PubChem (CID 158574413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).