3-(1,1,3,4-tetraphenyl-5-quinolin-3-ylsilol-2-yl)quinoline

C46H32N2Si — CID 54325835

IUPAC3-(1,1,3,4-tetraphenyl-5-quinolin-3-ylsilol-2-yl)quinoline
SMILESc1ccc(C2=C(c3cnc4ccccc4c3)[Si](c3ccccc3)(c3ccccc3)C(c3cnc4ccccc4c3)=C2c2ccccc2)cc1
InChIInChI=1S/C46H32N2Si/c1-5-17-33(18-6-1)43-44(34-19-7-2-8-20-34)46(38-30-36-22-14-16-28-42(36)48-32-38)49(39-23-9-3-10-24-39,40-25-11-4-12-26-40)45(43)37-29-35-21-13-15-27-41(35)47-31-37/h1-32H
InChIKeySUVUKCOFDQSBJN-UHFFFAOYSA-N
MW640.86 g/mol
LogP9.66
Rot. Bonds6

About 3-(1,1,3,4-tetraphenyl-5-quinolin-3-ylsilol-2-yl)quinoline

3-(1,1,3,4-tetraphenyl-5-quinolin-3-ylsilol-2-yl)quinoline (PubChem CID 54325835) has the molecular formula C46H32N2Si and a molecular weight of 640.86 g/mol. Its IUPAC name is 3-(1,1,3,4-tetraphenyl-5-quinolin-3-ylsilol-2-yl)quinoline.

Molecular Properties

Compound Name3-(1,1,3,4-tetraphenyl-5-quinolin-3-ylsilol-2-yl)quinoline
PubChem CID54325835
Molecular FormulaC46H32N2Si
Molecular Weight640.86 g/mol
Exact Mass640.23
IUPAC Name3-(1,1,3,4-tetraphenyl-5-quinolin-3-ylsilol-2-yl)quinoline
SMILESc1ccc(C2=C(c3cnc4ccccc4c3)[Si](c3ccccc3)(c3ccccc3)C(c3cnc4ccccc4c3)=C2c2ccccc2)cc1
InChIInChI=1S/C46H32N2Si/c1-5-17-33(18-6-1)43-44(34-19-7-2-8-20-34)46(38-30-36-22-14-16-28-42(36)48-32-38)49(39-23-9-3-10-24-39,40-25-11-4-12-26-40)45(43)37-29-35-21-13-15-27-41(35)47-31-37/h1-32H
InChIKeySUVUKCOFDQSBJN-UHFFFAOYSA-N
XLogP9.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.86
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline
CID 122426515
3-pyridin-4-ylquinoline
CID 10081720
2-phenyl-5-quinolin-3-yl-1,3,4-oxadiazole
CID 142733340
3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462308
3-[5-(6-phenylnaphthalen-2-yl)-2-pyridinyl]quinoline
CID 170293247
3-anthracen-9-ylquinoline
CID 170654314
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
3-(2,6-dichloro-4-pyridinyl)quinoline
CID 86078303
3-(5-phenyl-1H-imidazol-4-yl)quinoline
CID 50948318
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402315

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,3,4-tetraphenyl-5-quinolin-3-ylsilol-2-yl)quinoline?
The IUPAC name of 3-(1,1,3,4-tetraphenyl-5-quinolin-3-ylsilol-2-yl)quinoline (CID 54325835) is 3-(1,1,3,4-tetraphenyl-5-quinolin-3-ylsilol-2-yl)quinoline.
What is the SMILES notation for 3-(1,1,3,4-tetraphenyl-5-quinolin-3-ylsilol-2-yl)quinoline?
The canonical SMILES for 3-(1,1,3,4-tetraphenyl-5-quinolin-3-ylsilol-2-yl)quinoline is c1ccc(C2=C(c3cnc4ccccc4c3)[Si](c3ccccc3)(c3ccccc3)C(c3cnc4ccccc4c3)=C2c2ccccc2)cc1.
What is the InChIKey of 3-(1,1,3,4-tetraphenyl-5-quinolin-3-ylsilol-2-yl)quinoline?
The InChIKey is SUVUKCOFDQSBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2Si/c1-5-17-33(18-6-1)43-44(34-19-7-2-8-20-34)46(38-30-36-22-14-16-28-42(36)48-32-38)49(39-23-9-3-10-24-39,40-25-11-4-12-26-40)45(43)37-29-35-21-13-15-27-41(35)47-31-37/h1-32H.
What are the key properties of 3-(1,1,3,4-tetraphenyl-5-quinolin-3-ylsilol-2-yl)quinoline?
3-(1,1,3,4-tetraphenyl-5-quinolin-3-ylsilol-2-yl)quinoline has a molecular weight of 640.86 g/mol, XLogP of 9.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,3,4-tetraphenyl-5-quinolin-3-ylsilol-2-yl)quinoline is sourced from PubChem (CID 54325835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).