2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine

C76H60N8Si2 — CID 139198472

IUPAC2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine
SMILESC[Si]1(C)C(c2cccc(-c3ccccn3)n2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2ccccn2)n1.C[Si]1(C)C(c2cccc(-c3ccccn3)n2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2ccccn2)n1
InChIInChI=1S/2C38H30N4Si/c2*1-43(2)37(33-23-13-21-31(41-33)29-19-9-11-25-39-29)35(27-15-5-3-6-16-27)36(28-17-7-4-8-18-28)38(43)34-24-14-22-32(42-34)30-20-10-12-26-40-30/h2*3-26H,1-2H3
InChIKeyNGCFPBXMEVRUPF-UHFFFAOYSA-N
MW1141.54 g/mol
LogP17.85
Rot. Bonds12

About 2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine

2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine (PubChem CID 139198472) has the molecular formula C76H60N8Si2 and a molecular weight of 1141.54 g/mol. Its IUPAC name is 2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine
PubChem CID139198472
Molecular FormulaC76H60N8Si2
Molecular Weight1141.54 g/mol
Exact Mass1140.45
IUPAC Name2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine
SMILESC[Si]1(C)C(c2cccc(-c3ccccn3)n2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2ccccn2)n1.C[Si]1(C)C(c2cccc(-c3ccccn3)n2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2ccccn2)n1
InChIInChI=1S/2C38H30N4Si/c2*1-43(2)37(33-23-13-21-31(41-33)29-19-9-11-25-39-29)35(27-15-5-3-6-16-27)36(28-17-7-4-8-18-28)38(43)34-24-14-22-32(42-34)30-20-10-12-26-40-30/h2*3-26H,1-2H3
InChIKeyNGCFPBXMEVRUPF-UHFFFAOYSA-N
XLogP17.85
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001141.54
LogP ≤ 517.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2,2':4',2''-Terpyridine, 6'-(2-pyridinyl)-
CID 9972674
N,N-bis(pyridin-2-ylmethyl)-1-[2-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)-2-pyridinyl]-4-pyridinyl]methanamine
CID 155568146
Pyridoclax
CID 92042827
Zinc tetra(4-N-methylpyridyl)porphine
CID 4547397
1,4-Di((2,2':6',2''-terpyridin)-4'-yl)benzene
CID 5103711
1,2-Bis(4'-methyl-2,2'-bipyridin-4-yl)ethane
CID 15771932
Tris(2-phenylpyridine)iridium
CID 45358635
1,1,2,2-Tetrakis(4-(pyridin-4-yl)phenyl)ethene
CID 90642886
N-[[10-[[bis(2-pyridylmethyl)amino]methyl]-9-anthryl]methyl]-1-(2-pyridyl)-N-(2-pyridylmethyl)methanamine
CID 10175868
1-[4-[[bis(2-pyridylmethyl)amino]methyl]phenyl]-N,N-bis(2-pyridylmethyl)methanamine
CID 15940300
2,2':6',2''-Terpyridine, 6,6'''-(1,6-hexanediyl)bis-
CID 3044372

Frequently Asked Questions

What is the IUPAC name of 2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine?
The IUPAC name of 2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine (CID 139198472) is 2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine is C[Si]1(C)C(c2cccc(-c3ccccn3)n2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2ccccn2)n1.C[Si]1(C)C(c2cccc(-c3ccccn3)n2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2ccccn2)n1.
What is the InChIKey of 2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine?
The InChIKey is NGCFPBXMEVRUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H30N4Si/c2*1-43(2)37(33-23-13-21-31(41-33)29-19-9-11-25-39-29)35(27-15-5-3-6-16-27)36(28-17-7-4-8-18-28)38(43)34-24-14-22-32(42-34)30-20-10-12-26-40-30/h2*3-26H,1-2H3.
What are the key properties of 2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine?
2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine has a molecular weight of 1141.54 g/mol, XLogP of 17.85, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 139198472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).