diphenyl-(4-phenylphenyl)-[13-(1,2,3,4-tetradeuteriocarbazol-9-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]silane

C56H39NSi — CID 164844827

About diphenyl-(4-phenylphenyl)-[13-(1,2,3,4-tetradeuteriocarbazol-9-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]silane

diphenyl-(4-phenylphenyl)-[13-(1,2,3,4-tetradeuteriocarbazol-9-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]silane (PubChem CID 164844827) has the molecular formula C56H39NSi and a molecular weight of 758.05 g/mol. Its IUPAC name is diphenyl-(4-phenylphenyl)-[13-(1,2,3,4-tetradeuteriocarbazol-9-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]silane.

Molecular Properties

• Compound Name: diphenyl-(4-phenylphenyl)-[13-(1,2,3,4-tetradeuteriocarbazol-9-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]silane
• PubChem CID: 164844827
• Molecular Formula: C56H39NSi
• Molecular Weight: 758.05 g/mol
• Exact Mass: 757.31
• IUPAC Name: diphenyl-(4-phenylphenyl)-[13-(1,2,3,4-tetradeuteriocarbazol-9-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]silane
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccccc1n2-c1cccc2c1C1c3ccccc3C2c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc(-c4ccccc4)cc3)c21
• InChI: InChI=1S/C56H39NSi/c1-4-18-38(19-5-1)39-34-36-42(37-35-39)58(40-20-6-2-7-21-40,41-22-8-3-9-23-41)52-33-17-29-48-53-45-26-10-11-27-46(45)56(55(48)52)54-47(53)28-16-32-51(54)57-49-30-14-12-24-43(49)44-25-13-15-31-50(44)57/h1-37,53,56H/i12D,14D,24D,30D
• InChIKey: ZJBBXXXEOHJPKK-OBBIDODISA-N
• XLogP: 10.82
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	758.05
LogP ≤ 5	10.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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 diphenyl-(4-phenylphenyl)-[13-(1,2,3,4-tetradeuteriocarbazol-9-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]silane?

The IUPAC name of diphenyl-(4-phenylphenyl)-[13-(1,2,3,4-tetradeuteriocarbazol-9-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]silane (CID 164844827) is diphenyl-(4-phenylphenyl)-[13-(1,2,3,4-tetradeuteriocarbazol-9-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]silane.

What is the SMILES notation for diphenyl-(4-phenylphenyl)-[13-(1,2,3,4-tetradeuteriocarbazol-9-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]silane?

The canonical SMILES for diphenyl-(4-phenylphenyl)-[13-(1,2,3,4-tetradeuteriocarbazol-9-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]silane is [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccccc1n2-c1cccc2c1C1c3ccccc3C2c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc(-c4ccccc4)cc3)c21.

What is the InChIKey of diphenyl-(4-phenylphenyl)-[13-(1,2,3,4-tetradeuteriocarbazol-9-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]silane?

The InChIKey is ZJBBXXXEOHJPKK-OBBIDODISA-N. The full InChI is InChI=1S/C56H39NSi/c1-4-18-38(19-5-1)39-34-36-42(37-35-39)58(40-20-6-2-7-21-40,41-22-8-3-9-23-41)52-33-17-29-48-53-45-26-10-11-27-46(45)56(55(48)52)54-47(53)28-16-32-51(54)57-49-30-14-12-24-43(49)44-25-13-15-31-50(44)57/h1-37,53,56H/i12D,14D,24D,30D.

What are the key properties of diphenyl-(4-phenylphenyl)-[13-(1,2,3,4-tetradeuteriocarbazol-9-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]silane?

diphenyl-(4-phenylphenyl)-[13-(1,2,3,4-tetradeuteriocarbazol-9-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]silane has a molecular weight of 758.05 g/mol, XLogP of 10.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-(4-phenylphenyl)-[13-(1,2,3,4-tetradeuteriocarbazol-9-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]silane is sourced from PubChem (CID 164844827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).