12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzofuro[2,3-a]carbazole;3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole;triphenyl-[12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazol-3-yl]silane

C147H94N12O2SSi — CID 158828114

About 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzofuro[2,3-a]carbazole;3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole;triphenyl-[12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazol-3-yl]silane

12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzofuro[2,3-a]carbazole;3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole;triphenyl-[12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazol-3-yl]silane (PubChem CID 158828114) has the molecular formula C147H94N12O2SSi and a molecular weight of 2120.60 g/mol. Its IUPAC name is 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzofuro[2,3-a]carbazole;3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole;triphenyl-[12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazol-3-yl]silane.

Molecular Properties

• Compound Name: 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzofuro[2,3-a]carbazole;3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole;triphenyl-[12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazol-3-yl]silane
• PubChem CID: 158828114
• Molecular Formula: C147H94N12O2SSi
• Molecular Weight: 2120.60 g/mol
• Exact Mass: 2118.71
• IUPAC Name: 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzofuro[2,3-a]carbazole;3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole;triphenyl-[12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazol-3-yl]silane
• SMILES: c1ccc(-c2ccc3c(c2)c2ccc4c5ccccc5oc4c2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccc(-c6ccccc6)cc5c5ccc6c7ccccc7sc6c54)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5c5ccc6c7ccccc7oc6c54)n3)c2)cc1
• InChI: InChI=1S/C57H38N4OSi.C45H28N4O.C45H28N4S/c1-6-19-39(20-7-1)41-23-18-24-42(37-41)56-58-55(40-21-8-2-9-22-40)59-57(60-56)61-51-36-33-46(38-50(51)48-34-35-49-47-31-16-17-32-52(47)62-54(49)53(48)61)63(43-25-10-3-11-26-43,44-27-12-4-13-28-44)45-29-14-5-15-30-45;1-4-12-29(13-5-1)33-22-27-39-38(28-33)36-25-26-37-35-18-10-11-19-40(35)50-42(37)41(36)49(39)34-23-20-32(21-24-34)45-47-43(30-14-6-2-7-15-30)46-44(48-45)31-16-8-3-9-17-31;1-4-13-29(14-5-1)32-19-12-20-34(27-32)44-46-43(31-17-8-3-9-18-31)47-45(48-44)49-39-26-23-33(30-15-6-2-7-16-30)28-38(39)36-24-25-37-35-21-10-11-22-40(35)50-42(37)41(36)49/h1-38H;2*1-28H
• InChIKey: IWRWVAKEWLLXAW-UHFFFAOYSA-N
• XLogP: 34.79
• TPSA: 157.08 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2120.60
LogP ≤ 5	34.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzofuro[2,3-a]carbazole;3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole;triphenyl-[12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazol-3-yl]silane?

The IUPAC name of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzofuro[2,3-a]carbazole;3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole;triphenyl-[12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazol-3-yl]silane (CID 158828114) is 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzofuro[2,3-a]carbazole;3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole;triphenyl-[12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazol-3-yl]silane.

What is the SMILES notation for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzofuro[2,3-a]carbazole;3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole;triphenyl-[12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazol-3-yl]silane?

The canonical SMILES for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzofuro[2,3-a]carbazole;3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole;triphenyl-[12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazol-3-yl]silane is c1ccc(-c2ccc3c(c2)c2ccc4c5ccccc5oc4c2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccc(-c6ccccc6)cc5c5ccc6c7ccccc7sc6c54)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5c5ccc6c7ccccc7oc6c54)n3)c2)cc1.

What is the InChIKey of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzofuro[2,3-a]carbazole;3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole;triphenyl-[12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazol-3-yl]silane?

The InChIKey is IWRWVAKEWLLXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N4OSi.C45H28N4O.C45H28N4S/c1-6-19-39(20-7-1)41-23-18-24-42(37-41)56-58-55(40-21-8-2-9-22-40)59-57(60-56)61-51-36-33-46(38-50(51)48-34-35-49-47-31-16-17-32-52(47)62-54(49)53(48)61)63(43-25-10-3-11-26-43,44-27-12-4-13-28-44)45-29-14-5-15-30-45;1-4-12-29(13-5-1)33-22-27-39-38(28-33)36-25-26-37-35-18-10-11-19-40(35)50-42(37)41(36)49(39)34-23-20-32(21-24-34)45-47-43(30-14-6-2-7-15-30)46-44(48-45)31-16-8-3-9-17-31;1-4-13-29(14-5-1)32-19-12-20-34(27-32)44-46-43(31-17-8-3-9-18-31)47-45(48-44)49-39-26-23-33(30-15-6-2-7-16-30)28-38(39)36-24-25-37-35-21-10-11-22-40(35)50-42(37)41(36)49/h1-38H;2*1-28H.

What are the key properties of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzofuro[2,3-a]carbazole;3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole;triphenyl-[12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazol-3-yl]silane?

12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzofuro[2,3-a]carbazole;3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole;triphenyl-[12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazol-3-yl]silane has a molecular weight of 2120.60 g/mol, XLogP of 34.79, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzofuro[2,3-a]carbazole;3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole;triphenyl-[12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazol-3-yl]silane is sourced from PubChem (CID 158828114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).