9,9-dimethyl-4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine

C204H144N16Si4 — CID 157241868

IUPAC9,9-dimethyl-4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine
SMILESC[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)c8ccc9ccccc9c8n7)c6)c5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)c7ccc8ccccc8c7n6)c5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)c6ccc7ccccc7c6n5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4nc(-c5ccccc5)c5ccc6ccccc6c5n4)c3)nc21
InChIInChI=1S/C60H42N4Si.C54H38N4Si.C48H34N4Si.C42H30N4Si/c1-65(2)53-32-12-11-31-51(53)54-56(41-20-7-4-8-21-41)62-59(64-60(54)65)49-29-16-27-47(38-49)45-25-14-23-43(36-45)42-22-13-24-44(35-42)46-26-15-28-48(37-46)58-61-55(40-18-5-3-6-19-40)52-34-33-39-17-9-10-30-50(39)57(52)63-58;1-59(2)47-29-12-11-28-45(47)48-50(37-19-7-4-8-20-37)56-53(58-54(48)59)43-26-15-24-41(34-43)39-22-13-21-38(32-39)40-23-14-25-42(33-40)52-55-49(36-17-5-3-6-18-36)46-31-30-35-16-9-10-27-44(35)51(46)57-52;1-53(2)41-26-12-11-25-39(41)42-44(33-18-7-4-8-19-33)50-47(52-48(42)53)37-23-14-21-35(30-37)34-20-13-22-36(29-34)46-49-43(32-16-5-3-6-17-32)40-28-27-31-15-9-10-24-38(31)45(40)51-46;1-47(2)35-23-12-11-22-33(35)36-38(29-17-7-4-8-18-29)44-41(46-42(36)47)31-20-13-19-30(26-31)40-43-37(28-15-5-3-6-16-28)34-25-24-27-14-9-10-21-32(27)39(34)45-40/h3-38H,1-2H3;3-34H,1-2H3;3-30H,1-2H3;3-26H,1-2H3
InChIKeyAVHRQADYEVQLBL-UHFFFAOYSA-N
MW2931.85 g/mol
LogP46.18
Rot. Bonds22

About 9,9-dimethyl-4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine

9,9-dimethyl-4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine (PubChem CID 157241868) has the molecular formula C204H144N16Si4 and a molecular weight of 2931.85 g/mol. Its IUPAC name is 9,9-dimethyl-4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name9,9-dimethyl-4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine
PubChem CID157241868
Molecular FormulaC204H144N16Si4
Molecular Weight2931.85 g/mol
Exact Mass2929.08
IUPAC Name9,9-dimethyl-4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine
SMILESC[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)c8ccc9ccccc9c8n7)c6)c5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)c7ccc8ccccc8c7n6)c5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)c6ccc7ccccc7c6n5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4nc(-c5ccccc5)c5ccc6ccccc6c5n4)c3)nc21
InChIInChI=1S/C60H42N4Si.C54H38N4Si.C48H34N4Si.C42H30N4Si/c1-65(2)53-32-12-11-31-51(53)54-56(41-20-7-4-8-21-41)62-59(64-60(54)65)49-29-16-27-47(38-49)45-25-14-23-43(36-45)42-22-13-24-44(35-42)46-26-15-28-48(37-46)58-61-55(40-18-5-3-6-19-40)52-34-33-39-17-9-10-30-50(39)57(52)63-58;1-59(2)47-29-12-11-28-45(47)48-50(37-19-7-4-8-20-37)56-53(58-54(48)59)43-26-15-24-41(34-43)39-22-13-21-38(32-39)40-23-14-25-42(33-40)52-55-49(36-17-5-3-6-18-36)46-31-30-35-16-9-10-27-44(35)51(46)57-52;1-53(2)41-26-12-11-25-39(41)42-44(33-18-7-4-8-19-33)50-47(52-48(42)53)37-23-14-21-35(30-37)34-20-13-22-36(29-34)46-49-43(32-16-5-3-6-17-32)40-28-27-31-15-9-10-24-38(31)45(40)51-46;1-47(2)35-23-12-11-22-33(35)36-38(29-17-7-4-8-18-29)44-41(46-42(36)47)31-20-13-19-30(26-31)40-43-37(28-15-5-3-6-16-28)34-25-24-27-14-9-10-21-32(27)39(34)45-40/h3-38H,1-2H3;3-34H,1-2H3;3-30H,1-2H3;3-26H,1-2H3
InChIKeyAVHRQADYEVQLBL-UHFFFAOYSA-N
XLogP46.18
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms224
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002931.85
LogP ≤ 546.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9,9-dimethyl-4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine?
The IUPAC name of 9,9-dimethyl-4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine (CID 157241868) is 9,9-dimethyl-4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine.
What is the SMILES notation for 9,9-dimethyl-4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine?
The canonical SMILES for 9,9-dimethyl-4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine is C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)c8ccc9ccccc9c8n7)c6)c5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)c7ccc8ccccc8c7n6)c5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)c6ccc7ccccc7c6n5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4nc(-c5ccccc5)c5ccc6ccccc6c5n4)c3)nc21.
What is the InChIKey of 9,9-dimethyl-4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine?
The InChIKey is AVHRQADYEVQLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N4Si.C54H38N4Si.C48H34N4Si.C42H30N4Si/c1-65(2)53-32-12-11-31-51(53)54-56(41-20-7-4-8-21-41)62-59(64-60(54)65)49-29-16-27-47(38-49)45-25-14-23-43(36-45)42-22-13-24-44(35-42)46-26-15-28-48(37-46)58-61-55(40-18-5-3-6-19-40)52-34-33-39-17-9-10-30-50(39)57(52)63-58;1-59(2)47-29-12-11-28-45(47)48-50(37-19-7-4-8-20-37)56-53(58-54(48)59)43-26-15-24-41(34-43)39-22-13-21-38(32-39)40-23-14-25-42(33-40)52-55-49(36-17-5-3-6-18-36)46-31-30-35-16-9-10-27-44(35)51(46)57-52;1-53(2)41-26-12-11-25-39(41)42-44(33-18-7-4-8-19-33)50-47(52-48(42)53)37-23-14-21-35(30-37)34-20-13-22-36(29-34)46-49-43(32-16-5-3-6-17-32)40-28-27-31-15-9-10-24-38(31)45(40)51-46;1-47(2)35-23-12-11-22-33(35)36-38(29-17-7-4-8-18-29)44-41(46-42(36)47)31-20-13-19-30(26-31)40-43-37(28-15-5-3-6-16-28)34-25-24-27-14-9-10-21-32(27)39(34)45-40/h3-38H,1-2H3;3-34H,1-2H3;3-30H,1-2H3;3-26H,1-2H3.
What are the key properties of 9,9-dimethyl-4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine?
9,9-dimethyl-4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine has a molecular weight of 2931.85 g/mol, XLogP of 46.18, 22 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine is sourced from PubChem (CID 157241868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).