8,8-dimethyl-5-(1,2,2-triphenylethenyl)-13-[4-(1,2,2-triphenylethenyl)phenyl]-10,12,14,15-tetraza-8-silatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,13-heptaene;N-(2,5-diphenyl-1,2,4-triazol-3-yl)-1-(4-phenoxazin-10-ylphenyl)methanimine;naphthalene;2-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)-7,8-dihydro-[1,2,4]triazolo[5,1-b]quinazoline;2-(9-phenylcarbazol-2-yl)-[1,2,4]triazolo[1,5-a]quinoline;9-(4-phenylquinazolin-2-yl)-[1,2,4]triazolo[5,1-b]quinazoline

C180H126BN23O2Si — CID 157082052

About 8,8-dimethyl-5-(1,2,2-triphenylethenyl)-13-[4-(1,2,2-triphenylethenyl)phenyl]-10,12,14,15-tetraza-8-silatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,13-heptaene;N-(2,5-diphenyl-1,2,4-triazol-3-yl)-1-(4-phenoxazin-10-ylphenyl)methanimine;naphthalene;2-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)-7,8-dihydro-[1,2,4]triazolo[5,1-b]quinazoline;2-(9-phenylcarbazol-2-yl)-[1,2,4]triazolo[1,5-a]quinoline;9-(4-phenylquinazolin-2-yl)-[1,2,4]triazolo[5,1-b]quinazoline

8,8-dimethyl-5-(1,2,2-triphenylethenyl)-13-[4-(1,2,2-triphenylethenyl)phenyl]-10,12,14,15-tetraza-8-silatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,13-heptaene;N-(2,5-diphenyl-1,2,4-triazol-3-yl)-1-(4-phenoxazin-10-ylphenyl)methanimine;naphthalene;2-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)-7,8-dihydro-[1,2,4]triazolo[5,1-b]quinazoline;2-(9-phenylcarbazol-2-yl)-[1,2,4]triazolo[1,5-a]quinoline;9-(4-phenylquinazolin-2-yl)-[1,2,4]triazolo[5,1-b]quinazoline (PubChem CID 157082052) has the molecular formula C180H126BN23O2Si and a molecular weight of 2682.04 g/mol. Its IUPAC name is 8,8-dimethyl-5-(1,2,2-triphenylethenyl)-13-[4-(1,2,2-triphenylethenyl)phenyl]-10,12,14,15-tetraza-8-silatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,13-heptaene;N-(2,5-diphenyl-1,2,4-triazol-3-yl)-1-(4-phenoxazin-10-ylphenyl)methanimine;naphthalene;2-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)-7,8-dihydro-[1,2,4]triazolo[5,1-b]quinazoline;2-(9-phenylcarbazol-2-yl)-[1,2,4]triazolo[1,5-a]quinoline;9-(4-phenylquinazolin-2-yl)-[1,2,4]triazolo[5,1-b]quinazoline.

Molecular Properties

• Compound Name: 8,8-dimethyl-5-(1,2,2-triphenylethenyl)-13-[4-(1,2,2-triphenylethenyl)phenyl]-10,12,14,15-tetraza-8-silatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,13-heptaene;N-(2,5-diphenyl-1,2,4-triazol-3-yl)-1-(4-phenoxazin-10-ylphenyl)methanimine;naphthalene;2-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)-7,8-dihydro-[1,2,4]triazolo[5,1-b]quinazoline;2-(9-phenylcarbazol-2-yl)-[1,2,4]triazolo[1,5-a]quinoline;9-(4-phenylquinazolin-2-yl)-[1,2,4]triazolo[5,1-b]quinazoline
• PubChem CID: 157082052
• Molecular Formula: C180H126BN23O2Si
• Molecular Weight: 2682.04 g/mol
• Exact Mass: 2680.03
• IUPAC Name: 8,8-dimethyl-5-(1,2,2-triphenylethenyl)-13-[4-(1,2,2-triphenylethenyl)phenyl]-10,12,14,15-tetraza-8-silatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,13-heptaene;N-(2,5-diphenyl-1,2,4-triazol-3-yl)-1-(4-phenoxazin-10-ylphenyl)methanimine;naphthalene;2-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)-7,8-dihydro-[1,2,4]triazolo[5,1-b]quinazoline;2-(9-phenylcarbazol-2-yl)-[1,2,4]triazolo[1,5-a]quinoline;9-(4-phenylquinazolin-2-yl)-[1,2,4]triazolo[5,1-b]quinazoline
• SMILES: C(=Nc1nc(-c2ccccc2)nn1-c1ccccc1)c1ccc(N2c3ccccc3Oc3ccccc32)cc1.C1=Cc2nc3nc(-c4ccc5c(c4)Oc4ccccc4B5c4ccccc4)nn3cc2CC1.C[Si]1(C)c2cc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)ccc2-c2cn3nc(-c4ccc(C(=C(c5ccccc5)c5ccccc5)c5ccccc5)cc4)nc3nc21.c1ccc(-c2nc(-c3c4ccccc4nc4ncnn34)nc3ccccc23)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc5ccc6ccccc6n5n4)cc32)cc1.c1ccc2ccccc2c1
• InChI: InChI=1S/C59H44N4Si.C33H23N5O.C28H18N4.C27H19BN4O.C23H14N6.C10H8/c1-64(2)52-39-49(56(46-31-19-8-20-32-46)54(43-25-13-5-14-26-43)44-27-15-6-16-28-44)37-38-50(52)51-40-63-59(61-58(51)64)60-57(62-63)48-35-33-47(34-36-48)55(45-29-17-7-18-30-45)53(41-21-9-3-10-22-41)42-23-11-4-12-24-42;1-3-11-25(12-4-1)32-35-33(38(36-32)27-13-5-2-6-14-27)34-23-24-19-21-26(22-20-24)37-28-15-7-9-17-30(28)39-31-18-10-8-16-29(31)37;1-2-9-21(10-3-1)31-25-13-7-5-11-22(25)23-16-14-20(18-26(23)31)28-29-27-17-15-19-8-4-6-12-24(19)32(27)30-28;1-2-9-20(10-3-1)28-21-11-5-7-13-24(21)33-25-16-18(14-15-22(25)28)26-30-27-29-23-12-6-4-8-19(23)17-32(27)31-26;1-2-8-15(9-3-1)20-16-10-4-6-12-18(16)26-22(28-20)21-17-11-5-7-13-19(17)27-23-24-14-25-29(21)23;1-2-6-10-8-4-3-7-9(10)5-1/h3-40H,1-2H3;1-23H;1-18H;1-3,5-7,9-17H,4,8H2;1-14H;1-8H
• InChIKey: ADQVHOIGKOVBPK-UHFFFAOYSA-N
• XLogP: 38.28
• TPSA: 254.91 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2682.04
LogP ≤ 5	38.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-5-(1,2,2-triphenylethenyl)-13-[4-(1,2,2-triphenylethenyl)phenyl]-10,12,14,15-tetraza-8-silatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,13-heptaene;N-(2,5-diphenyl-1,2,4-triazol-3-yl)-1-(4-phenoxazin-10-ylphenyl)methanimine;naphthalene;2-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)-7,8-dihydro-[1,2,4]triazolo[5,1-b]quinazoline;2-(9-phenylcarbazol-2-yl)-[1,2,4]triazolo[1,5-a]quinoline;9-(4-phenylquinazolin-2-yl)-[1,2,4]triazolo[5,1-b]quinazoline?

The IUPAC name of 8,8-dimethyl-5-(1,2,2-triphenylethenyl)-13-[4-(1,2,2-triphenylethenyl)phenyl]-10,12,14,15-tetraza-8-silatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,13-heptaene;N-(2,5-diphenyl-1,2,4-triazol-3-yl)-1-(4-phenoxazin-10-ylphenyl)methanimine;naphthalene;2-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)-7,8-dihydro-[1,2,4]triazolo[5,1-b]quinazoline;2-(9-phenylcarbazol-2-yl)-[1,2,4]triazolo[1,5-a]quinoline;9-(4-phenylquinazolin-2-yl)-[1,2,4]triazolo[5,1-b]quinazoline (CID 157082052) is 8,8-dimethyl-5-(1,2,2-triphenylethenyl)-13-[4-(1,2,2-triphenylethenyl)phenyl]-10,12,14,15-tetraza-8-silatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,13-heptaene;N-(2,5-diphenyl-1,2,4-triazol-3-yl)-1-(4-phenoxazin-10-ylphenyl)methanimine;naphthalene;2-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)-7,8-dihydro-[1,2,4]triazolo[5,1-b]quinazoline;2-(9-phenylcarbazol-2-yl)-[1,2,4]triazolo[1,5-a]quinoline;9-(4-phenylquinazolin-2-yl)-[1,2,4]triazolo[5,1-b]quinazoline.

What is the SMILES notation for 8,8-dimethyl-5-(1,2,2-triphenylethenyl)-13-[4-(1,2,2-triphenylethenyl)phenyl]-10,12,14,15-tetraza-8-silatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,13-heptaene;N-(2,5-diphenyl-1,2,4-triazol-3-yl)-1-(4-phenoxazin-10-ylphenyl)methanimine;naphthalene;2-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)-7,8-dihydro-[1,2,4]triazolo[5,1-b]quinazoline;2-(9-phenylcarbazol-2-yl)-[1,2,4]triazolo[1,5-a]quinoline;9-(4-phenylquinazolin-2-yl)-[1,2,4]triazolo[5,1-b]quinazoline?

The canonical SMILES for 8,8-dimethyl-5-(1,2,2-triphenylethenyl)-13-[4-(1,2,2-triphenylethenyl)phenyl]-10,12,14,15-tetraza-8-silatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,13-heptaene;N-(2,5-diphenyl-1,2,4-triazol-3-yl)-1-(4-phenoxazin-10-ylphenyl)methanimine;naphthalene;2-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)-7,8-dihydro-[1,2,4]triazolo[5,1-b]quinazoline;2-(9-phenylcarbazol-2-yl)-[1,2,4]triazolo[1,5-a]quinoline;9-(4-phenylquinazolin-2-yl)-[1,2,4]triazolo[5,1-b]quinazoline is C(=Nc1nc(-c2ccccc2)nn1-c1ccccc1)c1ccc(N2c3ccccc3Oc3ccccc32)cc1.C1=Cc2nc3nc(-c4ccc5c(c4)Oc4ccccc4B5c4ccccc4)nn3cc2CC1.C[Si]1(C)c2cc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)ccc2-c2cn3nc(-c4ccc(C(=C(c5ccccc5)c5ccccc5)c5ccccc5)cc4)nc3nc21.c1ccc(-c2nc(-c3c4ccccc4nc4ncnn34)nc3ccccc23)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc5ccc6ccccc6n5n4)cc32)cc1.c1ccc2ccccc2c1.

What is the InChIKey of 8,8-dimethyl-5-(1,2,2-triphenylethenyl)-13-[4-(1,2,2-triphenylethenyl)phenyl]-10,12,14,15-tetraza-8-silatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,13-heptaene;N-(2,5-diphenyl-1,2,4-triazol-3-yl)-1-(4-phenoxazin-10-ylphenyl)methanimine;naphthalene;2-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)-7,8-dihydro-[1,2,4]triazolo[5,1-b]quinazoline;2-(9-phenylcarbazol-2-yl)-[1,2,4]triazolo[1,5-a]quinoline;9-(4-phenylquinazolin-2-yl)-[1,2,4]triazolo[5,1-b]quinazoline?

The InChIKey is ADQVHOIGKOVBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44N4Si.C33H23N5O.C28H18N4.C27H19BN4O.C23H14N6.C10H8/c1-64(2)52-39-49(56(46-31-19-8-20-32-46)54(43-25-13-5-14-26-43)44-27-15-6-16-28-44)37-38-50(52)51-40-63-59(61-58(51)64)60-57(62-63)48-35-33-47(34-36-48)55(45-29-17-7-18-30-45)53(41-21-9-3-10-22-41)42-23-11-4-12-24-42;1-3-11-25(12-4-1)32-35-33(38(36-32)27-13-5-2-6-14-27)34-23-24-19-21-26(22-20-24)37-28-15-7-9-17-30(28)39-31-18-10-8-16-29(31)37;1-2-9-21(10-3-1)31-25-13-7-5-11-22(25)23-16-14-20(18-26(23)31)28-29-27-17-15-19-8-4-6-12-24(19)32(27)30-28;1-2-9-20(10-3-1)28-21-11-5-7-13-24(21)33-25-16-18(14-15-22(25)28)26-30-27-29-23-12-6-4-8-19(23)17-32(27)31-26;1-2-8-15(9-3-1)20-16-10-4-6-12-18(16)26-22(28-20)21-17-11-5-7-13-19(17)27-23-24-14-25-29(21)23;1-2-6-10-8-4-3-7-9(10)5-1/h3-40H,1-2H3;1-23H;1-18H;1-3,5-7,9-17H,4,8H2;1-14H;1-8H.

What are the key properties of 8,8-dimethyl-5-(1,2,2-triphenylethenyl)-13-[4-(1,2,2-triphenylethenyl)phenyl]-10,12,14,15-tetraza-8-silatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,13-heptaene;N-(2,5-diphenyl-1,2,4-triazol-3-yl)-1-(4-phenoxazin-10-ylphenyl)methanimine;naphthalene;2-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)-7,8-dihydro-[1,2,4]triazolo[5,1-b]quinazoline;2-(9-phenylcarbazol-2-yl)-[1,2,4]triazolo[1,5-a]quinoline;9-(4-phenylquinazolin-2-yl)-[1,2,4]triazolo[5,1-b]quinazoline?

8,8-dimethyl-5-(1,2,2-triphenylethenyl)-13-[4-(1,2,2-triphenylethenyl)phenyl]-10,12,14,15-tetraza-8-silatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,13-heptaene;N-(2,5-diphenyl-1,2,4-triazol-3-yl)-1-(4-phenoxazin-10-ylphenyl)methanimine;naphthalene;2-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)-7,8-dihydro-[1,2,4]triazolo[5,1-b]quinazoline;2-(9-phenylcarbazol-2-yl)-[1,2,4]triazolo[1,5-a]quinoline;9-(4-phenylquinazolin-2-yl)-[1,2,4]triazolo[5,1-b]quinazoline has a molecular weight of 2682.04 g/mol, XLogP of 38.28, 20 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8-dimethyl-5-(1,2,2-triphenylethenyl)-13-[4-(1,2,2-triphenylethenyl)phenyl]-10,12,14,15-tetraza-8-silatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,13-heptaene;N-(2,5-diphenyl-1,2,4-triazol-3-yl)-1-(4-phenoxazin-10-ylphenyl)methanimine;naphthalene;2-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)-7,8-dihydro-[1,2,4]triazolo[5,1-b]quinazoline;2-(9-phenylcarbazol-2-yl)-[1,2,4]triazolo[1,5-a]quinoline;9-(4-phenylquinazolin-2-yl)-[1,2,4]triazolo[5,1-b]quinazoline is sourced from PubChem (CID 157082052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).