5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine

C126H93N9Si3 — CID 159465866

IUPAC5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine
SMILESC[Si]1(C)c2ccccc2-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)nc(-c3ccccc3)c21.C[Si]1(C)c2ccccc2-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)c21.C[Si]1(C)c2ccccc2-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)c21
InChIInChI=1S/3C42H31N3Si/c1-46(2)38-23-12-10-21-34(38)40-41(46)39(30-17-13-16-29(26-30)28-14-5-3-6-15-28)43-42(44-40)31-24-25-37-35(27-31)33-20-9-11-22-36(33)45(37)32-18-7-4-8-19-32;1-46(2)38-20-12-10-18-34(38)40-41(46)39(30-15-7-4-8-16-30)43-42(44-40)31-23-26-37-35(27-31)33-17-9-11-19-36(33)45(37)32-24-21-29(22-25-32)28-13-5-3-6-14-28;1-46(2)38-20-12-10-18-34(38)40-41(46)39(30-23-21-29(22-24-30)28-13-5-3-6-14-28)43-42(44-40)31-25-26-37-35(27-31)33-17-9-11-19-36(33)45(37)32-15-7-4-8-16-32/h3*3-27H,1-2H3
InChIKeyLVEBGGDQDXYUKJ-UHFFFAOYSA-N
MW1817.45 g/mol
LogP28.13
Rot. Bonds12

About 5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine

5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine (PubChem CID 159465866) has the molecular formula C126H93N9Si3 and a molecular weight of 1817.45 g/mol. Its IUPAC name is 5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine
PubChem CID159465866
Molecular FormulaC126H93N9Si3
Molecular Weight1817.45 g/mol
Exact Mass1815.69
IUPAC Name5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine
SMILESC[Si]1(C)c2ccccc2-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)nc(-c3ccccc3)c21.C[Si]1(C)c2ccccc2-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)c21.C[Si]1(C)c2ccccc2-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)c21
InChIInChI=1S/3C42H31N3Si/c1-46(2)38-23-12-10-21-34(38)40-41(46)39(30-17-13-16-29(26-30)28-14-5-3-6-15-28)43-42(44-40)31-24-25-37-35(27-31)33-20-9-11-22-36(33)45(37)32-18-7-4-8-19-32;1-46(2)38-20-12-10-18-34(38)40-41(46)39(30-15-7-4-8-16-30)43-42(44-40)31-23-26-37-35(27-31)33-17-9-11-19-36(33)45(37)32-24-21-29(22-25-32)28-13-5-3-6-14-28;1-46(2)38-20-12-10-18-34(38)40-41(46)39(30-23-21-29(22-24-30)28-13-5-3-6-14-28)43-42(44-40)31-25-26-37-35(27-31)33-17-9-11-19-36(33)45(37)32-15-7-4-8-16-32/h3*3-27H,1-2H3
InChIKeyLVEBGGDQDXYUKJ-UHFFFAOYSA-N
XLogP28.13
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001817.45
LogP ≤ 528.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine with MolForge

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Related Compounds

4-(4-carbazol-9-ylphenyl)-5,5-dimethyl-2-(9-phenylcarbazol-2-yl)-[1]benzosilolo[3,2-d]pyrimidine
CID 154010418
5,5-dimethyl-2-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-4-(3-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine
CID 159917413
5,5-dimethyl-4-phenyl-2-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140804843
5,5-dimethyl-4-phenyl-2-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140805334
2-(3-benzo[c]carbazol-7-ylphenyl)-5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine
CID 160505311
5,5-dimethyl-2-[3-(7-methylindolo[2,3-b]carbazol-5-yl)phenyl]-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine
CID 140805854
5,5-dimethyl-4-phenyl-2-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140804939
2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine
CID 140747498
7,7-dimethyl-4-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzosilolo[2,3-h]quinazoline
CID 140829187
2-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-2-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-[3-(6,9-diphenylcarbazol-4-yl)phenyl]phenyl]-9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine
CID 160506693
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500
5,5-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140747379

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine?
The IUPAC name of 5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine (CID 159465866) is 5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine.
What is the SMILES notation for 5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine?
The canonical SMILES for 5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine is C[Si]1(C)c2ccccc2-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)nc(-c3ccccc3)c21.C[Si]1(C)c2ccccc2-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)c21.C[Si]1(C)c2ccccc2-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)c21.
What is the InChIKey of 5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine?
The InChIKey is LVEBGGDQDXYUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C42H31N3Si/c1-46(2)38-23-12-10-21-34(38)40-41(46)39(30-17-13-16-29(26-30)28-14-5-3-6-15-28)43-42(44-40)31-24-25-37-35(27-31)33-20-9-11-22-36(33)45(37)32-18-7-4-8-19-32;1-46(2)38-20-12-10-18-34(38)40-41(46)39(30-15-7-4-8-16-30)43-42(44-40)31-23-26-37-35(27-31)33-17-9-11-19-36(33)45(37)32-24-21-29(22-25-32)28-13-5-3-6-14-28;1-46(2)38-20-12-10-18-34(38)40-41(46)39(30-23-21-29(22-24-30)28-13-5-3-6-14-28)43-42(44-40)31-25-26-37-35(27-31)33-17-9-11-19-36(33)45(37)32-15-7-4-8-16-32/h3*3-27H,1-2H3.
What are the key properties of 5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine?
5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine has a molecular weight of 1817.45 g/mol, XLogP of 28.13, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine is sourced from PubChem (CID 159465866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).