[13-(3-carbazol-9-ylcarbazol-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]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane

C68H46N2Si — CID 164844650

About [13-(3-carbazol-9-ylcarbazol-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]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane

[13-(3-carbazol-9-ylcarbazol-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]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane (PubChem CID 164844650) has the molecular formula C68H46N2Si and a molecular weight of 924.25 g/mol. Its IUPAC name is [13-(3-carbazol-9-ylcarbazol-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]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane.

Molecular Properties

• Compound Name: [13-(3-carbazol-9-ylcarbazol-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]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane
• PubChem CID: 164844650
• Molecular Formula: C68H46N2Si
• Molecular Weight: 924.25 g/mol
• Exact Mass: 923.37
• IUPAC Name: [13-(3-carbazol-9-ylcarbazol-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]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3C3c5ccccc5C4c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c43)c2)c([2H])c1[2H]
• InChI: InChI=1S/C68H46N2Si/c1-4-21-45(22-5-1)46-23-18-28-50(43-46)71(48-24-6-2-7-25-48,49-26-8-3-9-27-49)64-40-20-35-57-65-54-32-10-11-33-55(54)68(67(57)64)66-56(65)34-19-39-63(66)70-61-38-17-14-31-53(61)58-44-47(41-42-62(58)70)69-59-36-15-12-29-51(59)52-30-13-16-37-60(52)69/h1-44,65,68H/i1D,4D,5D,21D,22D
• InChIKey: KPRPCZOAYCUTGF-ALVLLMBCSA-N
• XLogP: 13.91
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	924.25
LogP ≤ 5	13.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 [13-(3-carbazol-9-ylcarbazol-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]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane?

The IUPAC name of [13-(3-carbazol-9-ylcarbazol-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]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane (CID 164844650) is [13-(3-carbazol-9-ylcarbazol-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]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane.

What is the SMILES notation for [13-(3-carbazol-9-ylcarbazol-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]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane?

The canonical SMILES for [13-(3-carbazol-9-ylcarbazol-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]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane is [2H]c1c([2H])c([2H])c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3C3c5ccccc5C4c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c43)c2)c([2H])c1[2H].

What is the InChIKey of [13-(3-carbazol-9-ylcarbazol-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]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane?

The InChIKey is KPRPCZOAYCUTGF-ALVLLMBCSA-N. The full InChI is InChI=1S/C68H46N2Si/c1-4-21-45(22-5-1)46-23-18-28-50(43-46)71(48-24-6-2-7-25-48,49-26-8-3-9-27-49)64-40-20-35-57-65-54-32-10-11-33-55(54)68(67(57)64)66-56(65)34-19-39-63(66)70-61-38-17-14-31-53(61)58-44-47(41-42-62(58)70)69-59-36-15-12-29-51(59)52-30-13-16-37-60(52)69/h1-44,65,68H/i1D,4D,5D,21D,22D.

What are the key properties of [13-(3-carbazol-9-ylcarbazol-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]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane?

[13-(3-carbazol-9-ylcarbazol-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]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane has a molecular weight of 924.25 g/mol, XLogP of 13.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [13-(3-carbazol-9-ylcarbazol-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]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane is sourced from PubChem (CID 164844650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).