5-[4-carbazol-9-yl-6-(13,13-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene

C76H48N6Si — CID 177074523

About 5-[4-carbazol-9-yl-6-(13,13-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene

5-[4-carbazol-9-yl-6-(13,13-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene (PubChem CID 177074523) has the molecular formula C76H48N6Si and a molecular weight of 1073.35 g/mol. Its IUPAC name is 5-[4-carbazol-9-yl-6-(13,13-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene.

Molecular Properties

• Compound Name: 5-[4-carbazol-9-yl-6-(13,13-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
• PubChem CID: 177074523
• Molecular Formula: C76H48N6Si
• Molecular Weight: 1073.35 g/mol
• Exact Mass: 1072.37
• IUPAC Name: 5-[4-carbazol-9-yl-6-(13,13-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-n3c4ccc(-c5nc(-c6ccc7c(c6)c6cccc8c6n7-c6ccccc6[Si]8(c6ccccc6)c6ccccc6)nc(-n6c7ccccc7c7ccccc76)n5)cc4c4cccc2c43)cc1
• InChI: InChI=1S/C76H48N6Si/c1-5-23-51(24-6-1)76(52-25-7-2-8-26-52)61-35-15-18-39-67(61)80-65-45-43-49(47-59(65)57-33-21-36-62(76)71(57)80)73-77-74(79-75(78-73)82-63-37-16-13-31-55(63)56-32-14-17-38-64(56)82)50-44-46-66-60(48-50)58-34-22-42-70-72(58)81(66)68-40-19-20-41-69(68)83(70,53-27-9-3-10-28-53)54-29-11-4-12-30-54/h1-48H
• InChIKey: HDXVNFMKPIEDLI-UHFFFAOYSA-N
• XLogP: 14.88
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1073.35
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-carbazol-9-yl-6-(13,13-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?

The IUPAC name of 5-[4-carbazol-9-yl-6-(13,13-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene (CID 177074523) is 5-[4-carbazol-9-yl-6-(13,13-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene.

What is the SMILES notation for 5-[4-carbazol-9-yl-6-(13,13-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?

The canonical SMILES for 5-[4-carbazol-9-yl-6-(13,13-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene is c1ccc(C2(c3ccccc3)c3ccccc3-n3c4ccc(-c5nc(-c6ccc7c(c6)c6cccc8c6n7-c6ccccc6[Si]8(c6ccccc6)c6ccccc6)nc(-n6c7ccccc7c7ccccc76)n5)cc4c4cccc2c43)cc1.

What is the InChIKey of 5-[4-carbazol-9-yl-6-(13,13-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?

The InChIKey is HDXVNFMKPIEDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H48N6Si/c1-5-23-51(24-6-1)76(52-25-7-2-8-26-52)61-35-15-18-39-67(61)80-65-45-43-49(47-59(65)57-33-21-36-62(76)71(57)80)73-77-74(79-75(78-73)82-63-37-16-13-31-55(63)56-32-14-17-38-64(56)82)50-44-46-66-60(48-50)58-34-22-42-70-72(58)81(66)68-40-19-20-41-69(68)83(70,53-27-9-3-10-28-53)54-29-11-4-12-30-54/h1-48H.

What are the key properties of 5-[4-carbazol-9-yl-6-(13,13-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?

5-[4-carbazol-9-yl-6-(13,13-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene has a molecular weight of 1073.35 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-carbazol-9-yl-6-(13,13-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 177074523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).