1,3-bis(3,5-dimethylphenyl)-5,6-dimethylspiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,3-bis(3,5-dimethylphenyl)-2,2-dinaphthalen-2-yl-1,3,2-benzodiazasilole;2-tert-butyl-2-naphthalen-1-yl-5,6-diphenyl-1,3-bis(6-phenyl-2-pyridinyl)-1,3,2-benzodiazasilole;5,6-dimethyl-1,3-bis(4-phenylphenyl)spiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,2,2,3-tetrakis(4-phenylphenyl)-1,3,2-benzodiazasilole

C230H188N12Si5 — CID 161166363

IUPAC1,3-bis(3,5-dimethylphenyl)-5,6-dimethylspiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,3-bis(3,5-dimethylphenyl)-2,2-dinaphthalen-2-yl-1,3,2-benzodiazasilole;2-tert-butyl-2-naphthalen-1-yl-5,6-diphenyl-1,3-bis(6-phenyl-2-pyridinyl)-1,3,2-benzodiazasilole;5,6-dimethyl-1,3-bis(4-phenylphenyl)spiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,2,2,3-tetrakis(4-phenylphenyl)-1,3,2-benzodiazasilole
SMILESCC(C)(C)[Si]1(c2cccc3ccccc23)N(c2cccc(-c3ccccc3)n2)c2cc(-c3ccccc3)c(-c3ccccc3)cc2N1c1cccc(-c2ccccc2)n1.Cc1cc(C)cc(N2c3cc(C)c(C)cc3N(c3cc(C)cc(C)c3)[Si]23c2ccccc2-c2ccccc23)c1.Cc1cc(C)cc(N2c3ccccc3N(c3cc(C)cc(C)c3)[Si]2(c2ccc3ccccc3c2)c2ccc3ccccc3c2)c1.Cc1cc2c(cc1C)N(c1ccc(-c3ccccc3)cc1)[Si]1(c3ccccc3-c3ccccc31)N2c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccc(N3c4ccccc4N(c4ccc(-c5ccccc5)cc4)[Si]3(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C54H44N4Si.C54H40N2Si.C44H34N2Si.C42H36N2Si.C36H34N2Si/c1-54(2,3)59(51-34-18-30-39-25-16-17-31-44(39)51)57(52-35-19-32-47(55-52)42-26-12-6-13-27-42)49-37-45(40-21-8-4-9-22-40)46(41-23-10-5-11-24-41)38-50(49)58(59)53-36-20-33-48(56-53)43-28-14-7-15-29-43;1-5-15-41(16-6-1)45-25-33-49(34-26-45)55-53-23-13-14-24-54(53)56(50-35-27-46(28-36-50)42-17-7-2-8-18-42)57(55,51-37-29-47(30-38-51)43-19-9-3-10-20-43)52-39-31-48(32-40-52)44-21-11-4-12-22-44;1-31-29-41-42(30-32(31)2)46(38-27-23-36(24-28-38)34-15-7-4-8-16-34)47(43-19-11-9-17-39(43)40-18-10-12-20-44(40)47)45(41)37-25-21-35(22-26-37)33-13-5-3-6-14-33;1-29-21-30(2)24-37(23-29)43-41-15-9-10-16-42(41)44(38-25-31(3)22-32(4)26-38)45(43,39-19-17-33-11-5-7-13-35(33)27-39)40-20-18-34-12-6-8-14-36(34)28-40;1-23-15-24(2)18-29(17-23)37-33-21-27(5)28(6)22-34(33)38(30-19-25(3)16-26(4)20-30)39(37)35-13-9-7-11-31(35)32-12-8-10-14-36(32)39/h4-38H,1-3H3;1-40H;3-30H,1-2H3;5-28H,1-4H3;7-22H,1-6H3
InChIKeyUQOZKSROXIOPHE-UHFFFAOYSA-N
MW3260.55 g/mol
LogP54.64
Rot. Bonds25

About 1,3-bis(3,5-dimethylphenyl)-5,6-dimethylspiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,3-bis(3,5-dimethylphenyl)-2,2-dinaphthalen-2-yl-1,3,2-benzodiazasilole;2-tert-butyl-2-naphthalen-1-yl-5,6-diphenyl-1,3-bis(6-phenyl-2-pyridinyl)-1,3,2-benzodiazasilole;5,6-dimethyl-1,3-bis(4-phenylphenyl)spiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,2,2,3-tetrakis(4-phenylphenyl)-1,3,2-benzodiazasilole

1,3-bis(3,5-dimethylphenyl)-5,6-dimethylspiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,3-bis(3,5-dimethylphenyl)-2,2-dinaphthalen-2-yl-1,3,2-benzodiazasilole;2-tert-butyl-2-naphthalen-1-yl-5,6-diphenyl-1,3-bis(6-phenyl-2-pyridinyl)-1,3,2-benzodiazasilole;5,6-dimethyl-1,3-bis(4-phenylphenyl)spiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,2,2,3-tetrakis(4-phenylphenyl)-1,3,2-benzodiazasilole (PubChem CID 161166363) has the molecular formula C230H188N12Si5 and a molecular weight of 3260.55 g/mol. Its IUPAC name is 1,3-bis(3,5-dimethylphenyl)-5,6-dimethylspiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,3-bis(3,5-dimethylphenyl)-2,2-dinaphthalen-2-yl-1,3,2-benzodiazasilole;2-tert-butyl-2-naphthalen-1-yl-5,6-diphenyl-1,3-bis(6-phenyl-2-pyridinyl)-1,3,2-benzodiazasilole;5,6-dimethyl-1,3-bis(4-phenylphenyl)spiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,2,2,3-tetrakis(4-phenylphenyl)-1,3,2-benzodiazasilole.

Molecular Properties

Compound Name1,3-bis(3,5-dimethylphenyl)-5,6-dimethylspiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,3-bis(3,5-dimethylphenyl)-2,2-dinaphthalen-2-yl-1,3,2-benzodiazasilole;2-tert-butyl-2-naphthalen-1-yl-5,6-diphenyl-1,3-bis(6-phenyl-2-pyridinyl)-1,3,2-benzodiazasilole;5,6-dimethyl-1,3-bis(4-phenylphenyl)spiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,2,2,3-tetrakis(4-phenylphenyl)-1,3,2-benzodiazasilole
PubChem CID161166363
Molecular FormulaC230H188N12Si5
Molecular Weight3260.55 g/mol
Exact Mass3257.39
IUPAC Name1,3-bis(3,5-dimethylphenyl)-5,6-dimethylspiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,3-bis(3,5-dimethylphenyl)-2,2-dinaphthalen-2-yl-1,3,2-benzodiazasilole;2-tert-butyl-2-naphthalen-1-yl-5,6-diphenyl-1,3-bis(6-phenyl-2-pyridinyl)-1,3,2-benzodiazasilole;5,6-dimethyl-1,3-bis(4-phenylphenyl)spiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,2,2,3-tetrakis(4-phenylphenyl)-1,3,2-benzodiazasilole
SMILESCC(C)(C)[Si]1(c2cccc3ccccc23)N(c2cccc(-c3ccccc3)n2)c2cc(-c3ccccc3)c(-c3ccccc3)cc2N1c1cccc(-c2ccccc2)n1.Cc1cc(C)cc(N2c3cc(C)c(C)cc3N(c3cc(C)cc(C)c3)[Si]23c2ccccc2-c2ccccc23)c1.Cc1cc(C)cc(N2c3ccccc3N(c3cc(C)cc(C)c3)[Si]2(c2ccc3ccccc3c2)c2ccc3ccccc3c2)c1.Cc1cc2c(cc1C)N(c1ccc(-c3ccccc3)cc1)[Si]1(c3ccccc3-c3ccccc31)N2c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccc(N3c4ccccc4N(c4ccc(-c5ccccc5)cc4)[Si]3(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C54H44N4Si.C54H40N2Si.C44H34N2Si.C42H36N2Si.C36H34N2Si/c1-54(2,3)59(51-34-18-30-39-25-16-17-31-44(39)51)57(52-35-19-32-47(55-52)42-26-12-6-13-27-42)49-37-45(40-21-8-4-9-22-40)46(41-23-10-5-11-24-41)38-50(49)58(59)53-36-20-33-48(56-53)43-28-14-7-15-29-43;1-5-15-41(16-6-1)45-25-33-49(34-26-45)55-53-23-13-14-24-54(53)56(50-35-27-46(28-36-50)42-17-7-2-8-18-42)57(55,51-37-29-47(30-38-51)43-19-9-3-10-20-43)52-39-31-48(32-40-52)44-21-11-4-12-22-44;1-31-29-41-42(30-32(31)2)46(38-27-23-36(24-28-38)34-15-7-4-8-16-34)47(43-19-11-9-17-39(43)40-18-10-12-20-44(40)47)45(41)37-25-21-35(22-26-37)33-13-5-3-6-14-33;1-29-21-30(2)24-37(23-29)43-41-15-9-10-16-42(41)44(38-25-31(3)22-32(4)26-38)45(43,39-19-17-33-11-5-7-13-35(33)27-39)40-20-18-34-12-6-8-14-36(34)28-40;1-23-15-24(2)18-29(17-23)37-33-21-27(5)28(6)22-34(33)38(30-19-25(3)16-26(4)20-30)39(37)35-13-9-7-11-31(35)32-12-8-10-14-36(32)39/h4-38H,1-3H3;1-40H;3-30H,1-2H3;5-28H,1-4H3;7-22H,1-6H3
InChIKeyUQOZKSROXIOPHE-UHFFFAOYSA-N
XLogP54.64
TPSA58.18 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds25
Heavy Atoms247
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003260.55
LogP ≤ 554.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1,3-bis(3,5-dimethylphenyl)-5,6-dimethylspiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,3-bis(3,5-dimethylphenyl)-2,2-dinaphthalen-2-yl-1,3,2-benzodiazasilole;2-tert-butyl-2-naphthalen-1-yl-5,6-diphenyl-1,3-bis(6-phenyl-2-pyridinyl)-1,3,2-benzodiazasilole;5,6-dimethyl-1,3-bis(4-phenylphenyl)spiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,2,2,3-tetrakis(4-phenylphenyl)-1,3,2-benzodiazasilole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3,5-dimethylphenyl)-5,6-dimethylspiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,3-bis(3,5-dimethylphenyl)-2,2-dinaphthalen-2-yl-1,3,2-benzodiazasilole;2-tert-butyl-2-naphthalen-1-yl-5,6-diphenyl-1,3-bis(6-phenyl-2-pyridinyl)-1,3,2-benzodiazasilole;5,6-dimethyl-1,3-bis(4-phenylphenyl)spiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,2,2,3-tetrakis(4-phenylphenyl)-1,3,2-benzodiazasilole?
The IUPAC name of 1,3-bis(3,5-dimethylphenyl)-5,6-dimethylspiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,3-bis(3,5-dimethylphenyl)-2,2-dinaphthalen-2-yl-1,3,2-benzodiazasilole;2-tert-butyl-2-naphthalen-1-yl-5,6-diphenyl-1,3-bis(6-phenyl-2-pyridinyl)-1,3,2-benzodiazasilole;5,6-dimethyl-1,3-bis(4-phenylphenyl)spiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,2,2,3-tetrakis(4-phenylphenyl)-1,3,2-benzodiazasilole (CID 161166363) is 1,3-bis(3,5-dimethylphenyl)-5,6-dimethylspiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,3-bis(3,5-dimethylphenyl)-2,2-dinaphthalen-2-yl-1,3,2-benzodiazasilole;2-tert-butyl-2-naphthalen-1-yl-5,6-diphenyl-1,3-bis(6-phenyl-2-pyridinyl)-1,3,2-benzodiazasilole;5,6-dimethyl-1,3-bis(4-phenylphenyl)spiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,2,2,3-tetrakis(4-phenylphenyl)-1,3,2-benzodiazasilole.
What is the SMILES notation for 1,3-bis(3,5-dimethylphenyl)-5,6-dimethylspiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,3-bis(3,5-dimethylphenyl)-2,2-dinaphthalen-2-yl-1,3,2-benzodiazasilole;2-tert-butyl-2-naphthalen-1-yl-5,6-diphenyl-1,3-bis(6-phenyl-2-pyridinyl)-1,3,2-benzodiazasilole;5,6-dimethyl-1,3-bis(4-phenylphenyl)spiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,2,2,3-tetrakis(4-phenylphenyl)-1,3,2-benzodiazasilole?
The canonical SMILES for 1,3-bis(3,5-dimethylphenyl)-5,6-dimethylspiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,3-bis(3,5-dimethylphenyl)-2,2-dinaphthalen-2-yl-1,3,2-benzodiazasilole;2-tert-butyl-2-naphthalen-1-yl-5,6-diphenyl-1,3-bis(6-phenyl-2-pyridinyl)-1,3,2-benzodiazasilole;5,6-dimethyl-1,3-bis(4-phenylphenyl)spiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,2,2,3-tetrakis(4-phenylphenyl)-1,3,2-benzodiazasilole is CC(C)(C)[Si]1(c2cccc3ccccc23)N(c2cccc(-c3ccccc3)n2)c2cc(-c3ccccc3)c(-c3ccccc3)cc2N1c1cccc(-c2ccccc2)n1.Cc1cc(C)cc(N2c3cc(C)c(C)cc3N(c3cc(C)cc(C)c3)[Si]23c2ccccc2-c2ccccc23)c1.Cc1cc(C)cc(N2c3ccccc3N(c3cc(C)cc(C)c3)[Si]2(c2ccc3ccccc3c2)c2ccc3ccccc3c2)c1.Cc1cc2c(cc1C)N(c1ccc(-c3ccccc3)cc1)[Si]1(c3ccccc3-c3ccccc31)N2c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccc(N3c4ccccc4N(c4ccc(-c5ccccc5)cc4)[Si]3(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 1,3-bis(3,5-dimethylphenyl)-5,6-dimethylspiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,3-bis(3,5-dimethylphenyl)-2,2-dinaphthalen-2-yl-1,3,2-benzodiazasilole;2-tert-butyl-2-naphthalen-1-yl-5,6-diphenyl-1,3-bis(6-phenyl-2-pyridinyl)-1,3,2-benzodiazasilole;5,6-dimethyl-1,3-bis(4-phenylphenyl)spiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,2,2,3-tetrakis(4-phenylphenyl)-1,3,2-benzodiazasilole?
The InChIKey is UQOZKSROXIOPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H44N4Si.C54H40N2Si.C44H34N2Si.C42H36N2Si.C36H34N2Si/c1-54(2,3)59(51-34-18-30-39-25-16-17-31-44(39)51)57(52-35-19-32-47(55-52)42-26-12-6-13-27-42)49-37-45(40-21-8-4-9-22-40)46(41-23-10-5-11-24-41)38-50(49)58(59)53-36-20-33-48(56-53)43-28-14-7-15-29-43;1-5-15-41(16-6-1)45-25-33-49(34-26-45)55-53-23-13-14-24-54(53)56(50-35-27-46(28-36-50)42-17-7-2-8-18-42)57(55,51-37-29-47(30-38-51)43-19-9-3-10-20-43)52-39-31-48(32-40-52)44-21-11-4-12-22-44;1-31-29-41-42(30-32(31)2)46(38-27-23-36(24-28-38)34-15-7-4-8-16-34)47(43-19-11-9-17-39(43)40-18-10-12-20-44(40)47)45(41)37-25-21-35(22-26-37)33-13-5-3-6-14-33;1-29-21-30(2)24-37(23-29)43-41-15-9-10-16-42(41)44(38-25-31(3)22-32(4)26-38)45(43,39-19-17-33-11-5-7-13-35(33)27-39)40-20-18-34-12-6-8-14-36(34)28-40;1-23-15-24(2)18-29(17-23)37-33-21-27(5)28(6)22-34(33)38(30-19-25(3)16-26(4)20-30)39(37)35-13-9-7-11-31(35)32-12-8-10-14-36(32)39/h4-38H,1-3H3;1-40H;3-30H,1-2H3;5-28H,1-4H3;7-22H,1-6H3.
What are the key properties of 1,3-bis(3,5-dimethylphenyl)-5,6-dimethylspiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,3-bis(3,5-dimethylphenyl)-2,2-dinaphthalen-2-yl-1,3,2-benzodiazasilole;2-tert-butyl-2-naphthalen-1-yl-5,6-diphenyl-1,3-bis(6-phenyl-2-pyridinyl)-1,3,2-benzodiazasilole;5,6-dimethyl-1,3-bis(4-phenylphenyl)spiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,2,2,3-tetrakis(4-phenylphenyl)-1,3,2-benzodiazasilole?
1,3-bis(3,5-dimethylphenyl)-5,6-dimethylspiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,3-bis(3,5-dimethylphenyl)-2,2-dinaphthalen-2-yl-1,3,2-benzodiazasilole;2-tert-butyl-2-naphthalen-1-yl-5,6-diphenyl-1,3-bis(6-phenyl-2-pyridinyl)-1,3,2-benzodiazasilole;5,6-dimethyl-1,3-bis(4-phenylphenyl)spiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,2,2,3-tetrakis(4-phenylphenyl)-1,3,2-benzodiazasilole has a molecular weight of 3260.55 g/mol, XLogP of 54.64, 25 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3,5-dimethylphenyl)-5,6-dimethylspiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,3-bis(3,5-dimethylphenyl)-2,2-dinaphthalen-2-yl-1,3,2-benzodiazasilole;2-tert-butyl-2-naphthalen-1-yl-5,6-diphenyl-1,3-bis(6-phenyl-2-pyridinyl)-1,3,2-benzodiazasilole;5,6-dimethyl-1,3-bis(4-phenylphenyl)spiro[1,3,2-benzodiazasilole-2,5'-benzo[b][1]benzosilole];1,2,2,3-tetrakis(4-phenylphenyl)-1,3,2-benzodiazasilole is sourced from PubChem (CID 161166363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).