4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-2,6-diphenylpyridine;4-[4-[3-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine

C91H69N3Si2 — CID 160731038

IUPAC4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-2,6-diphenylpyridine;4-[4-[3-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine
SMILESC[Si]1(C)c2ccccc2-c2cc(-c3ccc(-c4cccc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4)cc3)ccc21.C[Si]1(C)c2ccccc2-c2cc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)ccc21
InChIInChI=1S/C48H36N2Si.C43H33NSi/c1-51(2)46-19-10-9-18-42(46)43-31-41(28-29-47(43)51)35-22-20-33(21-23-35)39-16-11-17-40(30-39)34-24-26-37(27-25-34)45-32-44(36-12-5-3-6-13-36)49-48(50-45)38-14-7-4-8-15-38;1-45(2)42-20-12-11-19-38(42)39-27-34(25-26-43(39)45)30-21-23-31(24-22-30)36-17-9-10-18-37(36)35-28-40(32-13-5-3-6-14-32)44-41(29-35)33-15-7-4-8-16-33/h3-32H,1-2H3;3-29H,1-2H3
InChIKeyRUINDTPMVDUABX-UHFFFAOYSA-N
MW1260.75 g/mol
LogP21.50
Rot. Bonds11

About 4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-2,6-diphenylpyridine;4-[4-[3-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine

4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-2,6-diphenylpyridine;4-[4-[3-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine (PubChem CID 160731038) has the molecular formula C91H69N3Si2 and a molecular weight of 1260.75 g/mol. Its IUPAC name is 4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-2,6-diphenylpyridine;4-[4-[3-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-2,6-diphenylpyridine;4-[4-[3-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine
PubChem CID160731038
Molecular FormulaC91H69N3Si2
Molecular Weight1260.75 g/mol
Exact Mass1259.50
IUPAC Name4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-2,6-diphenylpyridine;4-[4-[3-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine
SMILESC[Si]1(C)c2ccccc2-c2cc(-c3ccc(-c4cccc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4)cc3)ccc21.C[Si]1(C)c2ccccc2-c2cc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)ccc21
InChIInChI=1S/C48H36N2Si.C43H33NSi/c1-51(2)46-19-10-9-18-42(46)43-31-41(28-29-47(43)51)35-22-20-33(21-23-35)39-16-11-17-40(30-39)34-24-26-37(27-25-34)45-32-44(36-12-5-3-6-13-36)49-48(50-45)38-14-7-4-8-15-38;1-45(2)42-20-12-11-19-38(42)39-27-34(25-26-43(39)45)30-21-23-31(24-22-30)36-17-9-10-18-37(36)35-28-40(32-13-5-3-6-14-32)44-41(29-35)33-15-7-4-8-16-33/h3-32H,1-2H3;3-29H,1-2H3
InChIKeyRUINDTPMVDUABX-UHFFFAOYSA-N
XLogP21.50
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001260.75
LogP ≤ 521.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-2,6-diphenylpyridine;4-[4-[3-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine with MolForge

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Related Compounds

2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)pyridine
CID 155787405
2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155787296
4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 155787420
2-[4-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155787156
2-[4-[4-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;2-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)phenyl]phenyl]-4,6-diphenylpyridine
CID 157286611
2-(5,5-dimethyl-3-phenylbenzo[b][1]benzosilol-8-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155787127
2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 157199646
4-[3-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]-5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidine
CID 140747377
2-[3-[4-[2-(3,4-diphenylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163549585
2,4-diphenyl-6-[3-[3-[4-phenyl-3-(2-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine
CID 121450646
2,4-diphenyl-6-[4-[3-[6-phenyl-2-[3-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-[6-phenyl-2-[4-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 163852198
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-2,6-diphenylpyridine;4-[4-[3-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-2,6-diphenylpyridine;4-[4-[3-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine (CID 160731038) is 4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-2,6-diphenylpyridine;4-[4-[3-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-2,6-diphenylpyridine;4-[4-[3-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-2,6-diphenylpyridine;4-[4-[3-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine is C[Si]1(C)c2ccccc2-c2cc(-c3ccc(-c4cccc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4)cc3)ccc21.C[Si]1(C)c2ccccc2-c2cc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)ccc21.
What is the InChIKey of 4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-2,6-diphenylpyridine;4-[4-[3-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine?
The InChIKey is RUINDTPMVDUABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2Si.C43H33NSi/c1-51(2)46-19-10-9-18-42(46)43-31-41(28-29-47(43)51)35-22-20-33(21-23-35)39-16-11-17-40(30-39)34-24-26-37(27-25-34)45-32-44(36-12-5-3-6-13-36)49-48(50-45)38-14-7-4-8-15-38;1-45(2)42-20-12-11-19-38(42)39-27-34(25-26-43(39)45)30-21-23-31(24-22-30)36-17-9-10-18-37(36)35-28-40(32-13-5-3-6-14-32)44-41(29-35)33-15-7-4-8-16-33/h3-32H,1-2H3;3-29H,1-2H3.
What are the key properties of 4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-2,6-diphenylpyridine;4-[4-[3-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine?
4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-2,6-diphenylpyridine;4-[4-[3-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine has a molecular weight of 1260.75 g/mol, XLogP of 21.50, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-2,6-diphenylpyridine;4-[4-[3-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 160731038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).