14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diaza-8-silatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene-8,5'-benzo[b][1]benzosilole]

C88H64N4OSi — CID 155616563

About 14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diaza-8-silatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene-8,5'-benzo[b][1]benzosilole]

14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diaza-8-silatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene-8,5'-benzo[b][1]benzosilole] (PubChem CID 155616563) has the molecular formula C88H64N4OSi and a molecular weight of 1221.59 g/mol. Its IUPAC name is 14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diaza-8-silatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene-8,5'-benzo[b][1]benzosilole].

Molecular Properties

• Compound Name: 14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diaza-8-silatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene-8,5'-benzo[b][1]benzosilole]
• PubChem CID: 155616563
• Molecular Formula: C88H64N4OSi
• Molecular Weight: 1221.59 g/mol
• Exact Mass: 1220.48
• IUPAC Name: 14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diaza-8-silatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene-8,5'-benzo[b][1]benzosilole]
• SMILES: CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c(c4)N4CN(c6c(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)cccc6-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6cccc(c64)[Si]54c5ccccc5-c5ccccc54)cc32)c1
• InChI: InChI=1S/C88H64N4OSi/c1-88(2,3)68-46-47-89-85(54-68)92-77-37-19-16-32-73(77)74-44-42-69(55-79(74)92)93-70-43-45-83-80(56-70)91-57-90(78-38-23-41-84(87(78)91)94(83)81-39-20-17-33-75(81)76-34-18-21-40-82(76)94)86-71(66-50-62(58-24-8-4-9-25-58)48-63(51-66)59-26-10-5-11-27-59)35-22-36-72(86)67-52-64(60-28-12-6-13-29-60)49-65(53-67)61-30-14-7-15-31-61/h4-56H,57H2,1-3H3
• InChIKey: JPNICAPMTGKWRG-UHFFFAOYSA-N
• XLogP: 20.19
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1221.59
LogP ≤ 5	20.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diaza-8-silatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene-8,5'-benzo[b][1]benzosilole]?

The IUPAC name of 14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diaza-8-silatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene-8,5'-benzo[b][1]benzosilole] (CID 155616563) is 14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diaza-8-silatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene-8,5'-benzo[b][1]benzosilole].

What is the SMILES notation for 14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diaza-8-silatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene-8,5'-benzo[b][1]benzosilole]?

The canonical SMILES for 14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diaza-8-silatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene-8,5'-benzo[b][1]benzosilole] is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c(c4)N4CN(c6c(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)cccc6-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6cccc(c64)[Si]54c5ccccc5-c5ccccc54)cc32)c1.

What is the InChIKey of 14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diaza-8-silatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene-8,5'-benzo[b][1]benzosilole]?

The InChIKey is JPNICAPMTGKWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H64N4OSi/c1-88(2,3)68-46-47-89-85(54-68)92-77-37-19-16-32-73(77)74-44-42-69(55-79(74)92)93-70-43-45-83-80(56-70)91-57-90(78-38-23-41-84(87(78)91)94(83)81-39-20-17-33-75(81)76-34-18-21-40-82(76)94)86-71(66-50-62(58-24-8-4-9-25-58)48-63(51-66)59-26-10-5-11-27-59)35-22-36-72(86)67-52-64(60-28-12-6-13-29-60)49-65(53-67)61-30-14-7-15-31-61/h4-56H,57H2,1-3H3.

What are the key properties of 14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diaza-8-silatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene-8,5'-benzo[b][1]benzosilole]?

14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diaza-8-silatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene-8,5'-benzo[b][1]benzosilole] has a molecular weight of 1221.59 g/mol, XLogP of 20.19, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diaza-8-silatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene-8,5'-benzo[b][1]benzosilole] is sourced from PubChem (CID 155616563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).