8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,17-diphenylspiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine

C68H52N4O2Si — CID 153283647

About 8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,17-diphenylspiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine

8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,17-diphenylspiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine (PubChem CID 153283647) has the molecular formula C68H52N4O2Si and a molecular weight of 985.28 g/mol. Its IUPAC name is 8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,17-diphenylspiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine.

Molecular Properties

• Compound Name: 8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,17-diphenylspiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine
• PubChem CID: 153283647
• Molecular Formula: C68H52N4O2Si
• Molecular Weight: 985.28 g/mol
• Exact Mass: 984.39
• IUPAC Name: 8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,17-diphenylspiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine
• SMILES: Cc1ccc(N(c2c(C)cccc2C)c2cc3c(c4oc(-c5ccccc5)nc24)-c2c(cc(N(c4ccc(C)cc4)c4c(C)cccc4C)c4nc(-c5ccccc5)oc24)[Si]32c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C68H52N4O2Si/c1-41-31-35-49(36-32-41)71(63-43(3)19-17-20-44(63)4)53-39-57-59(65-61(53)69-67(73-65)47-23-9-7-10-24-47)60-58(75(57)55-29-15-13-27-51(55)52-28-14-16-30-56(52)75)40-54(62-66(60)74-68(70-62)48-25-11-8-12-26-48)72(50-37-33-42(2)34-38-50)64-45(5)21-18-22-46(64)6/h7-40H,1-6H3
• InChIKey: OWKICHZVQVBHPS-UHFFFAOYSA-N
• XLogP: 15.43
• TPSA: 58.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	985.28
LogP ≤ 5	15.43
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 8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,17-diphenylspiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine?

The IUPAC name of 8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,17-diphenylspiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine (CID 153283647) is 8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,17-diphenylspiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine.

What is the SMILES notation for 8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,17-diphenylspiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine?

The canonical SMILES for 8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,17-diphenylspiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine is Cc1ccc(N(c2c(C)cccc2C)c2cc3c(c4oc(-c5ccccc5)nc24)-c2c(cc(N(c4ccc(C)cc4)c4c(C)cccc4C)c4nc(-c5ccccc5)oc24)[Si]32c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of 8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,17-diphenylspiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine?

The InChIKey is OWKICHZVQVBHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H52N4O2Si/c1-41-31-35-49(36-32-41)71(63-43(3)19-17-20-44(63)4)53-39-57-59(65-61(53)69-67(73-65)47-23-9-7-10-24-47)60-58(75(57)55-29-15-13-27-51(55)52-28-14-16-30-56(52)75)40-54(62-66(60)74-68(70-62)48-25-11-8-12-26-48)72(50-37-33-42(2)34-38-50)64-45(5)21-18-22-46(64)6/h7-40H,1-6H3.

What are the key properties of 8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,17-diphenylspiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine?

8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,17-diphenylspiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine has a molecular weight of 985.28 g/mol, XLogP of 15.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,17-diphenylspiro[4,18-dioxa-6,16-diaza-11-silapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-11,5'-benzo[b][1]benzosilole]-8,14-diamine is sourced from PubChem (CID 153283647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).