5-methyl-2-[1-methyl-2-[2-[1-methyl-2,5-bis(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]pyridine

C60H54N4Si2 — CID 54076422

IUPAC5-methyl-2-[1-methyl-2-[2-[1-methyl-2,5-bis(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]pyridine
SMILESCc1ccc(C2=[Si](C)C(CCC3(c4ccc(C)cn4)C(c4ccccc4)=C(c4ccccc4)C(c4ccc(C)cn4)=[Si]3C)(c3ccc(C)cn3)C(c3ccccc3)=C2c2ccccc2)nc1
InChIInChI=1S/C60H54N4Si2/c1-41-27-31-49(61-37-41)57-53(45-19-11-7-12-20-45)55(47-23-15-9-16-24-47)59(65(57)5,51-33-29-43(3)39-63-51)35-36-60(52-34-30-44(4)40-64-52)56(48-25-17-10-18-26-48)54(46-21-13-8-14-22-46)58(66(60)6)50-32-28-42(2)38-62-50/h7-34,37-40H,35-36H2,1-6H3
InChIKeyMKAJQQPZNYZKPZ-UHFFFAOYSA-N
MW887.29 g/mol
LogP12.64
Rot. Bonds11

About 5-methyl-2-[1-methyl-2-[2-[1-methyl-2,5-bis(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]pyridine

5-methyl-2-[1-methyl-2-[2-[1-methyl-2,5-bis(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]pyridine (PubChem CID 54076422) has the molecular formula C60H54N4Si2 and a molecular weight of 887.29 g/mol. Its IUPAC name is 5-methyl-2-[1-methyl-2-[2-[1-methyl-2,5-bis(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]pyridine.

Molecular Properties

Compound Name5-methyl-2-[1-methyl-2-[2-[1-methyl-2,5-bis(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]pyridine
PubChem CID54076422
Molecular FormulaC60H54N4Si2
Molecular Weight887.29 g/mol
Exact Mass886.39
IUPAC Name5-methyl-2-[1-methyl-2-[2-[1-methyl-2,5-bis(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]pyridine
SMILESCc1ccc(C2=[Si](C)C(CCC3(c4ccc(C)cn4)C(c4ccccc4)=C(c4ccccc4)C(c4ccc(C)cn4)=[Si]3C)(c3ccc(C)cn3)C(c3ccccc3)=C2c2ccccc2)nc1
InChIInChI=1S/C60H54N4Si2/c1-41-27-31-49(61-37-41)57-53(45-19-11-7-12-20-45)55(47-23-15-9-16-24-47)59(65(57)5,51-33-29-43(3)39-63-51)35-36-60(52-34-30-44(4)40-64-52)56(48-25-17-10-18-26-48)54(46-21-13-8-14-22-46)58(66(60)6)50-32-28-42(2)38-62-50/h7-34,37-40H,35-36H2,1-6H3
InChIKeyMKAJQQPZNYZKPZ-UHFFFAOYSA-N
XLogP12.64
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.29
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 5486195
CID 5486195
CID 3042423
CID 3042423
CID 11438308
CID 11438308
CID 9972674
CID 9972674
CID 92042827
CID 92042827
CID 4547397
CID 4547397
CID 5103711
CID 5103711
CID 15771932
CID 15771932
CID 45358635
CID 45358635
CID 46317148
CID 46317148
CID 51358305
CID 51358305
CID 60146995
CID 60146995

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-methyl-2-[2-[1-methyl-2,5-bis(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]pyridine?
The IUPAC name of 5-methyl-2-[1-methyl-2-[2-[1-methyl-2,5-bis(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]pyridine (CID 54076422) is 5-methyl-2-[1-methyl-2-[2-[1-methyl-2,5-bis(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]pyridine.
What is the SMILES notation for 5-methyl-2-[1-methyl-2-[2-[1-methyl-2,5-bis(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]pyridine?
The canonical SMILES for 5-methyl-2-[1-methyl-2-[2-[1-methyl-2,5-bis(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]pyridine is Cc1ccc(C2=[Si](C)C(CCC3(c4ccc(C)cn4)C(c4ccccc4)=C(c4ccccc4)C(c4ccc(C)cn4)=[Si]3C)(c3ccc(C)cn3)C(c3ccccc3)=C2c2ccccc2)nc1.
What is the InChIKey of 5-methyl-2-[1-methyl-2-[2-[1-methyl-2,5-bis(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]pyridine?
The InChIKey is MKAJQQPZNYZKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54N4Si2/c1-41-27-31-49(61-37-41)57-53(45-19-11-7-12-20-45)55(47-23-15-9-16-24-47)59(65(57)5,51-33-29-43(3)39-63-51)35-36-60(52-34-30-44(4)40-64-52)56(48-25-17-10-18-26-48)54(46-21-13-8-14-22-46)58(66(60)6)50-32-28-42(2)38-62-50/h7-34,37-40H,35-36H2,1-6H3.
What are the key properties of 5-methyl-2-[1-methyl-2-[2-[1-methyl-2,5-bis(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]pyridine?
5-methyl-2-[1-methyl-2-[2-[1-methyl-2,5-bis(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]pyridine has a molecular weight of 887.29 g/mol, XLogP of 12.64, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-methyl-2-[2-[1-methyl-2,5-bis(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]pyridine is sourced from PubChem (CID 54076422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).