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

C97H73N3Si2 — CID 157286611

IUPAC2-[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
SMILESC[Si]1(C)c2ccccc2-c2c(-c3ccc(-c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)cc(-c6ccc(-c7ccccc7)cc6)n5)cc4)cc3)cccc21.C[Si]1(C)c2ccccc2-c2c(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cccc21
InChIInChI=1S/C54H40N2Si.C43H33NSi/c1-57(2)51-18-10-9-16-48(51)53-47(17-11-19-52(53)57)43-28-20-41(21-29-43)42-26-34-46(35-27-42)54-55-49(44-30-22-39(23-31-44)37-12-5-3-6-13-37)36-50(56-54)45-32-24-40(25-33-45)38-14-7-4-8-15-38;1-45(2)41-22-12-11-20-38(41)43-36(21-13-23-42(43)45)32-26-24-31(25-27-32)35-18-9-10-19-37(35)40-29-34(30-14-5-3-6-15-30)28-39(44-40)33-16-7-4-8-17-33/h3-36H,1-2H3;3-29H,1-2H3
InChIKeyBAHQEFCZYODDFO-UHFFFAOYSA-N
MW1336.84 g/mol
LogP23.17
Rot. Bonds12

About 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

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 (PubChem CID 157286611) has the molecular formula C97H73N3Si2 and a molecular weight of 1336.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID157286611
Molecular FormulaC97H73N3Si2
Molecular Weight1336.84 g/mol
Exact Mass1335.53
IUPAC Name2-[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
SMILESC[Si]1(C)c2ccccc2-c2c(-c3ccc(-c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)cc(-c6ccc(-c7ccccc7)cc6)n5)cc4)cc3)cccc21.C[Si]1(C)c2ccccc2-c2c(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cccc21
InChIInChI=1S/C54H40N2Si.C43H33NSi/c1-57(2)51-18-10-9-16-48(51)53-47(17-11-19-52(53)57)43-28-20-41(21-29-43)42-26-34-46(35-27-42)54-55-49(44-30-22-39(23-31-44)37-12-5-3-6-13-37)36-50(56-54)45-32-24-40(25-33-45)38-14-7-4-8-15-38;1-45(2)41-22-12-11-20-38(41)43-36(21-13-23-42(43)45)32-26-24-31(25-27-32)35-18-9-10-19-37(35)40-29-34(30-14-5-3-6-15-30)28-39(44-40)33-16-7-4-8-17-33/h3-36H,1-2H3;3-29H,1-2H3
InChIKeyBAHQEFCZYODDFO-UHFFFAOYSA-N
XLogP23.17
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001336.84
LogP ≤ 523.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
2-[10-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-4-phenyl-6-(4-phenylphenyl)pyridine
CID 155787392
2-[4-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 170927900
4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 155787420
2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)pyridine
CID 155787405
2-phenyl-4-(2-phenylphenyl)-6-[4-[2-[2-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 167202425
2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine
CID 158882806
2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402218
4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidine
CID 140747435
4-[10-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 155787427
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
1-(4-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole
CID 155787437

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si]1(C)c2ccccc2-c2c(-c3ccc(-c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)cc(-c6ccc(-c7ccccc7)cc6)n5)cc4)cc3)cccc21.C[Si]1(C)c2ccccc2-c2c(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cccc21.
What is the InChIKey of 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?
The InChIKey is BAHQEFCZYODDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2Si.C43H33NSi/c1-57(2)51-18-10-9-16-48(51)53-47(17-11-19-52(53)57)43-28-20-41(21-29-43)42-26-34-46(35-27-42)54-55-49(44-30-22-39(23-31-44)37-12-5-3-6-13-37)36-50(56-54)45-32-24-40(25-33-45)38-14-7-4-8-15-38;1-45(2)41-22-12-11-20-38(41)43-36(21-13-23-42(43)45)32-26-24-31(25-27-32)35-18-9-10-19-37(35)40-29-34(30-14-5-3-6-15-30)28-39(44-40)33-16-7-4-8-17-33/h3-36H,1-2H3;3-29H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1336.84 g/mol, XLogP of 23.17, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157286611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).