1,3-bis[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]propan-2-ol

C37H34N6O — CID 91401695

IUPAC1,3-bis[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]propan-2-ol
SMILESCc1ccnc(-c2cc(CC(O)(Cc3ccnc(-c4cc(C)ccn4)c3)Cc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1
InChIInChI=1S/C37H34N6O/c1-25-4-10-38-31(16-25)34-19-28(7-13-41-34)22-37(44,23-29-8-14-42-35(20-29)32-17-26(2)5-11-39-32)24-30-9-15-43-36(21-30)33-18-27(3)6-12-40-33/h4-21,44H,22-24H2,1-3H3
InChIKeyTUCYDLRVCFVIQH-UHFFFAOYSA-N
MW578.72 g/mol
LogP6.74
Rot. Bonds9

About 1,3-bis[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]propan-2-ol

1,3-bis[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]propan-2-ol (PubChem CID 91401695) has the molecular formula C37H34N6O and a molecular weight of 578.72 g/mol. Its IUPAC name is 1,3-bis[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]propan-2-ol
PubChem CID91401695
Molecular FormulaC37H34N6O
Molecular Weight578.72 g/mol
Exact Mass578.28
IUPAC Name1,3-bis[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]propan-2-ol
SMILESCc1ccnc(-c2cc(CC(O)(Cc3ccnc(-c4cc(C)ccn4)c3)Cc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1
InChIInChI=1S/C37H34N6O/c1-25-4-10-38-31(16-25)34-19-28(7-13-41-34)22-37(44,23-29-8-14-42-35(20-29)32-17-26(2)5-11-39-32)24-30-9-15-43-36(21-30)33-18-27(3)6-12-40-33/h4-21,44H,22-24H2,1-3H3
InChIKeyTUCYDLRVCFVIQH-UHFFFAOYSA-N
XLogP6.74
TPSA97.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.72
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,3-bis[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

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CID 3052765
13-[1-[13-[1-[13-[1-(13-Pyridin-3-yltridecyl)pyridin-1-ium-3-yl]tridecyl]pyridin-1-ium-3-yl]tridecyl]pyridin-1-ium-3-yl]tridecan-1-ol triiodide
CID 70696237
1,4-Di((2,2':6',2''-terpyridin)-4'-yl)benzene
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1,2-Bis(4'-methyl-2,2'-bipyridin-4-yl)ethane
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Osmium(2+), bis(2,2'-bipyridine-N,N')(mu-(1,4-bis((2,2':6',2''-terpyridin)-6-ylmethyl)-1,4-cyclohexanediol-N(sup 1),N(sup 1'),N(sup 1''):N(sup 4),N(sup 4'),N(sup 4''))-dichlorodi-, dichloride
CID 3044407
Dihydroxyosmarine tetrachloride
CID 11980054
6,6'-Bis(1,1-di(pyridin-2-yl)ethyl)-2,2'-bipyridine
CID 102443041
6',6''-Di(pyridin-2-yl)-2,2':4',4'':2'',2'''-quaterpyridine
CID 11983112
Tris(4,4'-dimethyl-2,2'-bipyridine)ruthenium(II) hexafluorophosphate
CID 15198704
1-[6-[5-[[bis(2-pyridylmethyl)amino]methyl]-2-pyridyl]-3-pyridyl]-N,N-bis(2-pyridylmethyl)methanamine
CID 16073098
[(1S,8S,9S)-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]-[(1R,8S,9R)-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]methanol
CID 394286
Iron(2+), tris(4,4'-dimethyl-2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-, perchlorate (1:2)
CID 85077

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]propan-2-ol?
The IUPAC name of 1,3-bis[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]propan-2-ol (CID 91401695) is 1,3-bis[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]propan-2-ol.
What is the SMILES notation for 1,3-bis[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]propan-2-ol?
The canonical SMILES for 1,3-bis[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]propan-2-ol is Cc1ccnc(-c2cc(CC(O)(Cc3ccnc(-c4cc(C)ccn4)c3)Cc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1.
What is the InChIKey of 1,3-bis[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]propan-2-ol?
The InChIKey is TUCYDLRVCFVIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N6O/c1-25-4-10-38-31(16-25)34-19-28(7-13-41-34)22-37(44,23-29-8-14-42-35(20-29)32-17-26(2)5-11-39-32)24-30-9-15-43-36(21-30)33-18-27(3)6-12-40-33/h4-21,44H,22-24H2,1-3H3.
What are the key properties of 1,3-bis[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]propan-2-ol?
1,3-bis[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]propan-2-ol has a molecular weight of 578.72 g/mol, XLogP of 6.74, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]propan-2-ol is sourced from PubChem (CID 91401695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).