2,4-bis(3-carbazol-9-ylphenyl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-3-yl)-[1]benzosilolo[2,3-d]pyrimidine

C132H94N12Si3 — CID 159862286

IUPAC2,4-bis(3-carbazol-9-ylphenyl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-3-yl)-[1]benzosilolo[2,3-d]pyrimidine
SMILESC[Si]1(C)c2ccccc2-c2c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-n3c4ccccc4c4ccccc43)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-n3c4ccccc4c4ccccc43)nc21.C[Si]1(C)c2ccccc2-c2c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc21
InChIInChI=1S/C48H34N4Si.2C42H30N4Si/c1-53(2)44-28-12-7-23-39(44)45-46(31-15-13-17-33(29-31)51-40-24-8-3-19-35(40)36-20-4-9-25-41(36)51)49-47(50-48(45)53)32-16-14-18-34(30-32)52-42-26-10-5-21-37(42)38-22-6-11-27-43(38)52;1-47(2)38-23-13-9-19-32(38)39-40(43-42(44-41(39)47)46-35-21-11-6-16-29(35)30-17-7-12-22-36(30)46)27-24-25-37-33(26-27)31-18-8-10-20-34(31)45(37)28-14-4-3-5-15-28;1-47(2)38-23-13-9-19-33(38)39-40(43-42(44-41(39)47)46-35-21-11-7-16-29(35)30-17-8-12-22-36(30)46)27-24-25-32-31-18-6-10-20-34(31)45(37(32)26-27)28-14-4-3-5-15-28/h3-30H,1-2H3;2*3-26H,1-2H3
InChIKeyNRHLGDMKVBFHOE-UHFFFAOYSA-N
MW1932.55 g/mol
LogP29.09
Rot. Bonds10

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

2,4-bis(3-carbazol-9-ylphenyl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-3-yl)-[1]benzosilolo[2,3-d]pyrimidine (PubChem CID 159862286) has the molecular formula C132H94N12Si3 and a molecular weight of 1932.55 g/mol. Its IUPAC name is 2,4-bis(3-carbazol-9-ylphenyl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-3-yl)-[1]benzosilolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-bis(3-carbazol-9-ylphenyl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-3-yl)-[1]benzosilolo[2,3-d]pyrimidine
PubChem CID159862286
Molecular FormulaC132H94N12Si3
Molecular Weight1932.55 g/mol
Exact Mass1930.70
IUPAC Name2,4-bis(3-carbazol-9-ylphenyl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-3-yl)-[1]benzosilolo[2,3-d]pyrimidine
SMILESC[Si]1(C)c2ccccc2-c2c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-n3c4ccccc4c4ccccc43)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-n3c4ccccc4c4ccccc43)nc21.C[Si]1(C)c2ccccc2-c2c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc21
InChIInChI=1S/C48H34N4Si.2C42H30N4Si/c1-53(2)44-28-12-7-23-39(44)45-46(31-15-13-17-33(29-31)51-40-24-8-3-19-35(40)36-20-4-9-25-41(36)51)49-47(50-48(45)53)32-16-14-18-34(30-32)52-42-26-10-5-21-37(42)38-22-6-11-27-43(38)52;1-47(2)38-23-13-9-19-32(38)39-40(43-42(44-41(39)47)46-35-21-11-6-16-29(35)30-17-7-12-22-36(30)46)27-24-25-37-33(26-27)31-18-8-10-20-34(31)45(37)28-14-4-3-5-15-28;1-47(2)38-23-13-9-19-33(38)39-40(43-42(44-41(39)47)46-35-21-11-7-16-29(35)30-17-8-12-22-36(30)46)27-24-25-32-31-18-6-10-20-34(31)45(37(32)26-27)28-14-4-3-5-15-28/h3-30H,1-2H3;2*3-26H,1-2H3
InChIKeyNRHLGDMKVBFHOE-UHFFFAOYSA-N
XLogP29.09
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001932.55
LogP ≤ 529.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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

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Related Compounds

4-(3-carbazol-9-ylphenyl)-9,9-dimethyl-2-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-d]pyrimidine
CID 123630446
9,9-dimethyl-4-phenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine
CID 140805344
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
2-(4-carbazol-9-ylphenyl)-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 154010624
9,9-dimethyl-4-phenyl-2-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine
CID 154010674
5-[3-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 140805562
7,7-dimethyl-1-phenyl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzosilolo[3,2-f]quinazoline
CID 140829144
2-[3-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 154010689
7,7-dimethyl-4-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzosilolo[2,3-h]quinazoline
CID 140829187
5,5-dimethyl-4-phenyl-2-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140804843
3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 134236829
4-(4-carbazol-9-ylphenyl)-5,5-dimethyl-2-(9-phenylcarbazol-2-yl)-[1]benzosilolo[3,2-d]pyrimidine
CID 154010418

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-carbazol-9-ylphenyl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-3-yl)-[1]benzosilolo[2,3-d]pyrimidine?
The IUPAC name of 2,4-bis(3-carbazol-9-ylphenyl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-3-yl)-[1]benzosilolo[2,3-d]pyrimidine (CID 159862286) is 2,4-bis(3-carbazol-9-ylphenyl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-3-yl)-[1]benzosilolo[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-bis(3-carbazol-9-ylphenyl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-3-yl)-[1]benzosilolo[2,3-d]pyrimidine?
The canonical SMILES for 2,4-bis(3-carbazol-9-ylphenyl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-3-yl)-[1]benzosilolo[2,3-d]pyrimidine is C[Si]1(C)c2ccccc2-c2c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-n3c4ccccc4c4ccccc43)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-n3c4ccccc4c4ccccc43)nc21.C[Si]1(C)c2ccccc2-c2c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc21.
What is the InChIKey of 2,4-bis(3-carbazol-9-ylphenyl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-3-yl)-[1]benzosilolo[2,3-d]pyrimidine?
The InChIKey is NRHLGDMKVBFHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4Si.2C42H30N4Si/c1-53(2)44-28-12-7-23-39(44)45-46(31-15-13-17-33(29-31)51-40-24-8-3-19-35(40)36-20-4-9-25-41(36)51)49-47(50-48(45)53)32-16-14-18-34(30-32)52-42-26-10-5-21-37(42)38-22-6-11-27-43(38)52;1-47(2)38-23-13-9-19-32(38)39-40(43-42(44-41(39)47)46-35-21-11-6-16-29(35)30-17-7-12-22-36(30)46)27-24-25-37-33(26-27)31-18-8-10-20-34(31)45(37)28-14-4-3-5-15-28;1-47(2)38-23-13-9-19-33(38)39-40(43-42(44-41(39)47)46-35-21-11-7-16-29(35)30-17-8-12-22-36(30)46)27-24-25-32-31-18-6-10-20-34(31)45(37(32)26-27)28-14-4-3-5-15-28/h3-30H,1-2H3;2*3-26H,1-2H3.
What are the key properties of 2,4-bis(3-carbazol-9-ylphenyl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-3-yl)-[1]benzosilolo[2,3-d]pyrimidine?
2,4-bis(3-carbazol-9-ylphenyl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-3-yl)-[1]benzosilolo[2,3-d]pyrimidine has a molecular weight of 1932.55 g/mol, XLogP of 29.09, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-carbazol-9-ylphenyl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-d]pyrimidine;2-carbazol-9-yl-9,9-dimethyl-4-(9-phenylcarbazol-3-yl)-[1]benzosilolo[2,3-d]pyrimidine is sourced from PubChem (CID 159862286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).