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

C228H163N13Si4 — CID 160506693

IUPAC2-[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
SMILESC[Si]1(C)c2ccccc2-c2c(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4cccc(-c5cccc6c5c5cc(-c7ccccc7)ccc5n6-c5ccccc5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5c5cc(-c7ccccc7)ccc5n6-c5cccc(-c6ccccc6)c5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc5c4c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4ccccc4)c3)nc21
InChIInChI=1S/2C60H43N3Si.C54H38N4Si.C54H39N3Si/c1-64(2)55-33-13-12-30-51(55)57-58(47-26-15-22-42(37-47)40-18-6-3-7-19-40)61-59(62-60(57)64)48-27-16-24-44(38-48)43-23-14-25-46(36-43)50-31-17-32-54-56(50)52-39-45(41-20-8-4-9-21-41)34-35-53(52)63(54)49-28-10-5-11-29-49;1-64(2)55-33-13-12-30-51(55)57-58(42-22-10-5-11-23-42)61-59(62-60(57)64)48-28-15-25-44(37-48)43-24-14-27-47(36-43)50-31-17-32-54-56(50)52-39-46(41-20-8-4-9-21-41)34-35-53(52)63(54)49-29-16-26-45(38-49)40-18-6-3-7-19-40;1-59(2)49-30-14-11-25-43(49)51-52(35-17-5-3-6-18-35)55-53(56-54(51)59)37-20-15-19-36(33-37)40-26-16-29-48-50(40)44-34-39(31-32-47(44)57(48)38-21-7-4-8-22-38)58-45-27-12-9-23-41(45)42-24-10-13-28-46(42)58;1-58(2)49-32-12-10-28-46(49)51-52(41-23-14-19-37(34-41)36-17-5-3-6-18-36)55-53(56-54(51)58)42-24-15-21-39(35-42)38-20-13-22-40(33-38)44-29-16-31-48-50(44)45-27-9-11-30-47(45)57(48)43-25-7-4-8-26-43/h2*3-39H,1-2H3;3-34H,1-2H3;3-35H,1-2H3
InChIKeyQSMRPSQKCNYPPW-UHFFFAOYSA-N
MW3197.25 g/mol
LogP53.94
Rot. Bonds25

About 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

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 (PubChem CID 160506693) has the molecular formula C228H163N13Si4 and a molecular weight of 3197.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID160506693
Molecular FormulaC228H163N13Si4
Molecular Weight3197.25 g/mol
Exact Mass3194.22
IUPAC Name2-[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
SMILESC[Si]1(C)c2ccccc2-c2c(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4cccc(-c5cccc6c5c5cc(-c7ccccc7)ccc5n6-c5ccccc5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5c5cc(-c7ccccc7)ccc5n6-c5cccc(-c6ccccc6)c5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc5c4c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4ccccc4)c3)nc21
InChIInChI=1S/2C60H43N3Si.C54H38N4Si.C54H39N3Si/c1-64(2)55-33-13-12-30-51(55)57-58(47-26-15-22-42(37-47)40-18-6-3-7-19-40)61-59(62-60(57)64)48-27-16-24-44(38-48)43-23-14-25-46(36-43)50-31-17-32-54-56(50)52-39-45(41-20-8-4-9-21-41)34-35-53(52)63(54)49-28-10-5-11-29-49;1-64(2)55-33-13-12-30-51(55)57-58(42-22-10-5-11-23-42)61-59(62-60(57)64)48-28-15-25-44(37-48)43-24-14-27-47(36-43)50-31-17-32-54-56(50)52-39-46(41-20-8-4-9-21-41)34-35-53(52)63(54)49-29-16-26-45(38-49)40-18-6-3-7-19-40;1-59(2)49-30-14-11-25-43(49)51-52(35-17-5-3-6-18-35)55-53(56-54(51)59)37-20-15-19-36(33-37)40-26-16-29-48-50(40)44-34-39(31-32-47(44)57(48)38-21-7-4-8-22-38)58-45-27-12-9-23-41(45)42-24-10-13-28-46(42)58;1-58(2)49-32-12-10-28-46(49)51-52(41-23-14-19-37(34-41)36-17-5-3-6-18-36)55-53(56-54(51)58)42-24-15-21-39(35-42)38-20-13-22-40(33-38)44-29-16-31-48-50(44)45-27-9-11-30-47(45)57(48)43-25-7-4-8-26-43/h2*3-39H,1-2H3;3-34H,1-2H3;3-35H,1-2H3
InChIKeyQSMRPSQKCNYPPW-UHFFFAOYSA-N
XLogP53.94
TPSA127.77 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms245
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003197.25
LogP ≤ 553.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si]1(C)c2ccccc2-c2c(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4cccc(-c5cccc6c5c5cc(-c7ccccc7)ccc5n6-c5ccccc5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5c5cc(-c7ccccc7)ccc5n6-c5cccc(-c6ccccc6)c5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc5c4c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4ccccc4)c3)nc21.
What is the InChIKey of 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?
The InChIKey is QSMRPSQKCNYPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H43N3Si.C54H38N4Si.C54H39N3Si/c1-64(2)55-33-13-12-30-51(55)57-58(47-26-15-22-42(37-47)40-18-6-3-7-19-40)61-59(62-60(57)64)48-27-16-24-44(38-48)43-23-14-25-46(36-43)50-31-17-32-54-56(50)52-39-45(41-20-8-4-9-21-41)34-35-53(52)63(54)49-28-10-5-11-29-49;1-64(2)55-33-13-12-30-51(55)57-58(42-22-10-5-11-23-42)61-59(62-60(57)64)48-28-15-25-44(37-48)43-24-14-27-47(36-43)50-31-17-32-54-56(50)52-39-46(41-20-8-4-9-21-41)34-35-53(52)63(54)49-29-16-26-45(38-49)40-18-6-3-7-19-40;1-59(2)49-30-14-11-25-43(49)51-52(35-17-5-3-6-18-35)55-53(56-54(51)59)37-20-15-19-36(33-37)40-26-16-29-48-50(40)44-34-39(31-32-47(44)57(48)38-21-7-4-8-22-38)58-45-27-12-9-23-41(45)42-24-10-13-28-46(42)58;1-58(2)49-32-12-10-28-46(49)51-52(41-23-14-19-37(34-41)36-17-5-3-6-18-36)55-53(56-54(51)58)42-24-15-21-39(35-42)38-20-13-22-40(33-38)44-29-16-31-48-50(44)45-27-9-11-30-47(45)57(48)43-25-7-4-8-26-43/h2*3-39H,1-2H3;3-34H,1-2H3;3-35H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3197.25 g/mol, XLogP of 53.94, 25 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160506693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).