5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis(6-phenyl-3-pyridinyl)silol-1-yl]ethyl]-3,4-diphenyl-5-(6-phenyl-3-pyridinyl)silol-2-yl]-2-phenylpyridine

C80H62N4Si2 — CID 87964885

IUPAC5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis(6-phenyl-3-pyridinyl)silol-1-yl]ethyl]-3,4-diphenyl-5-(6-phenyl-3-pyridinyl)silol-2-yl]-2-phenylpyridine
SMILESC[Si]1(CC[Si]2(C)C(c3ccc(-c4ccccc4)nc3)=C(c3ccccc3)C(c3ccccc3)=C2c2ccc(-c3ccccc3)nc2)C(c2ccc(-c3ccccc3)nc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C80H62N4Si2/c1-85(77(65-43-47-69(81-53-65)57-27-11-3-12-28-57)73(61-35-19-7-20-36-61)74(62-37-21-8-22-38-62)78(85)66-44-48-70(82-54-66)58-29-13-4-14-30-58)51-52-86(2)79(67-45-49-71(83-55-67)59-31-15-5-16-32-59)75(63-39-23-9-24-40-63)76(64-41-25-10-26-42-64)80(86)68-46-50-72(84-56-68)60-33-17-6-18-34-60/h3-50,53-56H,51-52H2,1-2H3
InChIKeyCPDMUMZJWNMXCJ-UHFFFAOYSA-N
MW1135.58 g/mol
LogP20.02
Rot. Bonds15

About 5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis(6-phenyl-3-pyridinyl)silol-1-yl]ethyl]-3,4-diphenyl-5-(6-phenyl-3-pyridinyl)silol-2-yl]-2-phenylpyridine

5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis(6-phenyl-3-pyridinyl)silol-1-yl]ethyl]-3,4-diphenyl-5-(6-phenyl-3-pyridinyl)silol-2-yl]-2-phenylpyridine (PubChem CID 87964885) has the molecular formula C80H62N4Si2 and a molecular weight of 1135.58 g/mol. Its IUPAC name is 5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis(6-phenyl-3-pyridinyl)silol-1-yl]ethyl]-3,4-diphenyl-5-(6-phenyl-3-pyridinyl)silol-2-yl]-2-phenylpyridine.

Molecular Properties

Compound Name5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis(6-phenyl-3-pyridinyl)silol-1-yl]ethyl]-3,4-diphenyl-5-(6-phenyl-3-pyridinyl)silol-2-yl]-2-phenylpyridine
PubChem CID87964885
Molecular FormulaC80H62N4Si2
Molecular Weight1135.58 g/mol
Exact Mass1134.45
IUPAC Name5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis(6-phenyl-3-pyridinyl)silol-1-yl]ethyl]-3,4-diphenyl-5-(6-phenyl-3-pyridinyl)silol-2-yl]-2-phenylpyridine
SMILESC[Si]1(CC[Si]2(C)C(c3ccc(-c4ccccc4)nc3)=C(c3ccccc3)C(c3ccccc3)=C2c2ccc(-c3ccccc3)nc2)C(c2ccc(-c3ccccc3)nc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C80H62N4Si2/c1-85(77(65-43-47-69(81-53-65)57-27-11-3-12-28-57)73(61-35-19-7-20-36-61)74(62-37-21-8-22-38-62)78(85)66-44-48-70(82-54-66)58-29-13-4-14-30-58)51-52-86(2)79(67-45-49-71(83-55-67)59-31-15-5-16-32-59)75(63-39-23-9-24-40-63)76(64-41-25-10-26-42-64)80(86)68-46-50-72(84-56-68)60-33-17-6-18-34-60/h3-50,53-56H,51-52H2,1-2H3
InChIKeyCPDMUMZJWNMXCJ-UHFFFAOYSA-N
XLogP20.02
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001135.58
LogP ≤ 520.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis(6-phenyl-3-pyridinyl)silol-1-yl]ethyl]-3,4-diphenyl-5-(6-phenyl-3-pyridinyl)silol-2-yl]-2-phenylpyridine with MolForge

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Related Compounds

tetrakis(N-methyl-4-pyridiniumyl)porphine manganese(III) complex
CID 5486195
Nemertelline
CID 3042423
4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2,2':4',2''-Terpyridine, 6'-(2-pyridinyl)-
CID 9972674
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
2,4,6-Tri(pyridin-4-yl)pyridine
CID 46317148
4,4',4''-Tris[(3-methylphenyl)phenylamino]triphenylamine
CID 51358305
Diphenyl-bis[4-(pyridin-3-yl)phenyl]silane
CID 89499878

Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis(6-phenyl-3-pyridinyl)silol-1-yl]ethyl]-3,4-diphenyl-5-(6-phenyl-3-pyridinyl)silol-2-yl]-2-phenylpyridine?
The IUPAC name of 5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis(6-phenyl-3-pyridinyl)silol-1-yl]ethyl]-3,4-diphenyl-5-(6-phenyl-3-pyridinyl)silol-2-yl]-2-phenylpyridine (CID 87964885) is 5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis(6-phenyl-3-pyridinyl)silol-1-yl]ethyl]-3,4-diphenyl-5-(6-phenyl-3-pyridinyl)silol-2-yl]-2-phenylpyridine.
What is the SMILES notation for 5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis(6-phenyl-3-pyridinyl)silol-1-yl]ethyl]-3,4-diphenyl-5-(6-phenyl-3-pyridinyl)silol-2-yl]-2-phenylpyridine?
The canonical SMILES for 5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis(6-phenyl-3-pyridinyl)silol-1-yl]ethyl]-3,4-diphenyl-5-(6-phenyl-3-pyridinyl)silol-2-yl]-2-phenylpyridine is C[Si]1(CC[Si]2(C)C(c3ccc(-c4ccccc4)nc3)=C(c3ccccc3)C(c3ccccc3)=C2c2ccc(-c3ccccc3)nc2)C(c2ccc(-c3ccccc3)nc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc(-c2ccccc2)nc1.
What is the InChIKey of 5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis(6-phenyl-3-pyridinyl)silol-1-yl]ethyl]-3,4-diphenyl-5-(6-phenyl-3-pyridinyl)silol-2-yl]-2-phenylpyridine?
The InChIKey is CPDMUMZJWNMXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H62N4Si2/c1-85(77(65-43-47-69(81-53-65)57-27-11-3-12-28-57)73(61-35-19-7-20-36-61)74(62-37-21-8-22-38-62)78(85)66-44-48-70(82-54-66)58-29-13-4-14-30-58)51-52-86(2)79(67-45-49-71(83-55-67)59-31-15-5-16-32-59)75(63-39-23-9-24-40-63)76(64-41-25-10-26-42-64)80(86)68-46-50-72(84-56-68)60-33-17-6-18-34-60/h3-50,53-56H,51-52H2,1-2H3.
What are the key properties of 5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis(6-phenyl-3-pyridinyl)silol-1-yl]ethyl]-3,4-diphenyl-5-(6-phenyl-3-pyridinyl)silol-2-yl]-2-phenylpyridine?
5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis(6-phenyl-3-pyridinyl)silol-1-yl]ethyl]-3,4-diphenyl-5-(6-phenyl-3-pyridinyl)silol-2-yl]-2-phenylpyridine has a molecular weight of 1135.58 g/mol, XLogP of 20.02, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis(6-phenyl-3-pyridinyl)silol-1-yl]ethyl]-3,4-diphenyl-5-(6-phenyl-3-pyridinyl)silol-2-yl]-2-phenylpyridine is sourced from PubChem (CID 87964885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).