4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine;4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-(2,4,6-trimethylphenyl)pyridine;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;triphenylphosphane

C112H102ClN12P — CID 158060852

IUPAC4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine;4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-(2,4,6-trimethylphenyl)pyridine;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;triphenylphosphane
SMILESCC(C)(C)c1ccnc(-c2cc(C(C)(C)C)cc(-c3cc(C(C)(C)C)ccn3)n2)c1.Cc1cc(C)c(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c(C)c1.Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.Clc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H35N3.C24H21N3.C22H17N3.C21H14ClN3.C18H15P/c1-25(2,3)18-10-12-28-21(14-18)23-16-20(27(7,8)9)17-24(30-23)22-15-19(11-13-29-22)26(4,5)6;1-16-12-17(2)24(18(3)13-16)19-14-22(20-8-4-6-10-25-20)27-23(15-19)21-9-5-7-11-26-21;1-16-8-10-17(11-9-16)18-14-21(19-6-2-4-12-23-19)25-22(15-18)20-7-3-5-13-24-20;22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h10-17H,1-9H3;4-15H,1-3H3;2-15H,1H3;1-14H;1-15H
InChIKeyFKPUUVLECBPVFN-UHFFFAOYSA-N
MW1682.56 g/mol
LogP27.05
Rot. Bonds14

About 4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine;4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-(2,4,6-trimethylphenyl)pyridine;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;triphenylphosphane

4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine;4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-(2,4,6-trimethylphenyl)pyridine;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;triphenylphosphane (PubChem CID 158060852) has the molecular formula C112H102ClN12P and a molecular weight of 1682.56 g/mol. Its IUPAC name is 4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine;4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-(2,4,6-trimethylphenyl)pyridine;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;triphenylphosphane.

Molecular Properties

Compound Name4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine;4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-(2,4,6-trimethylphenyl)pyridine;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;triphenylphosphane
PubChem CID158060852
Molecular FormulaC112H102ClN12P
Molecular Weight1682.56 g/mol
Exact Mass1680.78
IUPAC Name4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine;4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-(2,4,6-trimethylphenyl)pyridine;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;triphenylphosphane
SMILESCC(C)(C)c1ccnc(-c2cc(C(C)(C)C)cc(-c3cc(C(C)(C)C)ccn3)n2)c1.Cc1cc(C)c(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c(C)c1.Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.Clc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H35N3.C24H21N3.C22H17N3.C21H14ClN3.C18H15P/c1-25(2,3)18-10-12-28-21(14-18)23-16-20(27(7,8)9)17-24(30-23)22-15-19(11-13-29-22)26(4,5)6;1-16-12-17(2)24(18(3)13-16)19-14-22(20-8-4-6-10-25-20)27-23(15-19)21-9-5-7-11-26-21;1-16-8-10-17(11-9-16)18-14-21(19-6-2-4-12-23-19)25-22(15-18)20-7-3-5-13-24-20;22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h10-17H,1-9H3;4-15H,1-3H3;2-15H,1H3;1-14H;1-15H
InChIKeyFKPUUVLECBPVFN-UHFFFAOYSA-N
XLogP27.05
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001682.56
LogP ≤ 527.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine;4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-(2,4,6-trimethylphenyl)pyridine;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;triphenylphosphane with MolForge

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Related Compounds

4,4'-(4''-(tert-Butyl)-4-chloro-6'-phenyl-5'-(4-(trifluoromethyl)phenyl)-[1,1':2',1''-terphenyl]-3',4'-diyl)dipyridine
CID 86341907
Tetrakis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);bis(chlororuthenium(1+));bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139238461
2,7-Di(2,2'-bipyridin-5-yl)triphenylene
CID 86709927
2-(3-Tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine
CID 59609410
2-(3-Ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine
CID 59609425
2-[2-[3,5-Bis[2-(6-pyridin-2-ylpyridin-2-yl)phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine
CID 71127808
Rupatadine Impurity C
CID 71315697
2-[2,5-Difluoro-3-[6-(4-methyl-3,4-dihydropyridin-2-yl)-2-pyridinyl]-4,6-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine
CID 88987458
2-[2,5-Difluoro-4,6-bis(6-phenyl-2-pyridinyl)-3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine
CID 89296515
2-(3-Tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2,5-bis(2-methylphenyl)phenyl]pyridine;2-(3-tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine;2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine
CID 91052081
2-(3-Ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2,5-bis(2-methylphenyl)phenyl]pyridine;2-[2-(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-(3-methyl-2-pyridinyl)pyridine;2-[2-(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine
CID 91161173
2-[2,5-Diphenyl-4-(6-phenyl-2-pyridinyl)phenyl]-6-phenylpyridine;2-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;2-[3-methyl-5-(trifluoromethyl)phenyl]-6-[4-[6-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2,5-diphenylphenyl]pyridine
CID 91363564

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine;4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-(2,4,6-trimethylphenyl)pyridine;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;triphenylphosphane?
The IUPAC name of 4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine;4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-(2,4,6-trimethylphenyl)pyridine;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;triphenylphosphane (CID 158060852) is 4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine;4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-(2,4,6-trimethylphenyl)pyridine;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;triphenylphosphane.
What is the SMILES notation for 4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine;4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-(2,4,6-trimethylphenyl)pyridine;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;triphenylphosphane?
The canonical SMILES for 4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine;4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-(2,4,6-trimethylphenyl)pyridine;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;triphenylphosphane is CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)cc(-c3cc(C(C)(C)C)ccn3)n2)c1.Cc1cc(C)c(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c(C)c1.Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.Clc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine;4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-(2,4,6-trimethylphenyl)pyridine;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;triphenylphosphane?
The InChIKey is FKPUUVLECBPVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3.C24H21N3.C22H17N3.C21H14ClN3.C18H15P/c1-25(2,3)18-10-12-28-21(14-18)23-16-20(27(7,8)9)17-24(30-23)22-15-19(11-13-29-22)26(4,5)6;1-16-12-17(2)24(18(3)13-16)19-14-22(20-8-4-6-10-25-20)27-23(15-19)21-9-5-7-11-26-21;1-16-8-10-17(11-9-16)18-14-21(19-6-2-4-12-23-19)25-22(15-18)20-7-3-5-13-24-20;22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h10-17H,1-9H3;4-15H,1-3H3;2-15H,1H3;1-14H;1-15H.
What are the key properties of 4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine;4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-(2,4,6-trimethylphenyl)pyridine;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;triphenylphosphane?
4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine;4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-(2,4,6-trimethylphenyl)pyridine;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;triphenylphosphane has a molecular weight of 1682.56 g/mol, XLogP of 27.05, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine;4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-(2,4,6-trimethylphenyl)pyridine;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;triphenylphosphane is sourced from PubChem (CID 158060852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).