[3-[6-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-14-methyl-14-phenyl-19-pyridin-3-yl-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16(21),17,19-nonaen-10-yl]phenyl]-diphenyl-(4-phenylphenyl)silane

C75H63N3Si2 — CID 177133012

About [3-[6-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-14-methyl-14-phenyl-19-pyridin-3-yl-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16(21),17,19-nonaen-10-yl]phenyl]-diphenyl-(4-phenylphenyl)silane

[3-[6-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-14-methyl-14-phenyl-19-pyridin-3-yl-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16(21),17,19-nonaen-10-yl]phenyl]-diphenyl-(4-phenylphenyl)silane (PubChem CID 177133012) has the molecular formula C75H63N3Si2 and a molecular weight of 1062.52 g/mol. Its IUPAC name is [3-[6-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-14-methyl-14-phenyl-19-pyridin-3-yl-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16(21),17,19-nonaen-10-yl]phenyl]-diphenyl-(4-phenylphenyl)silane.

Molecular Properties

• Compound Name: [3-[6-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-14-methyl-14-phenyl-19-pyridin-3-yl-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16(21),17,19-nonaen-10-yl]phenyl]-diphenyl-(4-phenylphenyl)silane
• PubChem CID: 177133012
• Molecular Formula: C75H63N3Si2
• Molecular Weight: 1062.52 g/mol
• Exact Mass: 1061.46
• IUPAC Name: [3-[6-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-14-methyl-14-phenyl-19-pyridin-3-yl-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16(21),17,19-nonaen-10-yl]phenyl]-diphenyl-(4-phenylphenyl)silane
• SMILES: CC12CCCCC1(C)N(c1ccc3c(c1)c1cc4c(cc1n3-c1cccc([Si](c3ccccc3)(c3ccccc3)c3ccc(-c5ccccc5)cc3)c1)[Si](C)(c1ccccc1)Cc1ccc(-c3cccnc3)cc1-4)c1ccccc12
• InChI: InChI=1S/C75H63N3Si2/c1-74-43-18-19-44-75(74,2)78(71-34-17-16-33-69(71)74)59-39-42-70-66(48-59)67-49-68-65-46-55(56-24-21-45-76-51-56)35-36-57(65)52-79(3,60-26-10-5-11-27-60)73(68)50-72(67)77(70)58-25-20-32-64(47-58)80(61-28-12-6-13-29-61,62-30-14-7-15-31-62)63-40-37-54(38-41-63)53-22-8-4-9-23-53/h4-17,20-42,45-51H,18-19,43-44,52H2,1-3H3
• InChIKey: BQJQSQAEVGSASO-UHFFFAOYSA-N
• XLogP: 14.59
• TPSA: 21.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1062.52
LogP ≤ 5	14.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 [3-[6-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-14-methyl-14-phenyl-19-pyridin-3-yl-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16(21),17,19-nonaen-10-yl]phenyl]-diphenyl-(4-phenylphenyl)silane?

The IUPAC name of [3-[6-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-14-methyl-14-phenyl-19-pyridin-3-yl-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16(21),17,19-nonaen-10-yl]phenyl]-diphenyl-(4-phenylphenyl)silane (CID 177133012) is [3-[6-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-14-methyl-14-phenyl-19-pyridin-3-yl-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16(21),17,19-nonaen-10-yl]phenyl]-diphenyl-(4-phenylphenyl)silane.

What is the SMILES notation for [3-[6-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-14-methyl-14-phenyl-19-pyridin-3-yl-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16(21),17,19-nonaen-10-yl]phenyl]-diphenyl-(4-phenylphenyl)silane?

The canonical SMILES for [3-[6-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-14-methyl-14-phenyl-19-pyridin-3-yl-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16(21),17,19-nonaen-10-yl]phenyl]-diphenyl-(4-phenylphenyl)silane is CC12CCCCC1(C)N(c1ccc3c(c1)c1cc4c(cc1n3-c1cccc([Si](c3ccccc3)(c3ccccc3)c3ccc(-c5ccccc5)cc3)c1)[Si](C)(c1ccccc1)Cc1ccc(-c3cccnc3)cc1-4)c1ccccc12.

What is the InChIKey of [3-[6-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-14-methyl-14-phenyl-19-pyridin-3-yl-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16(21),17,19-nonaen-10-yl]phenyl]-diphenyl-(4-phenylphenyl)silane?

The InChIKey is BQJQSQAEVGSASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H63N3Si2/c1-74-43-18-19-44-75(74,2)78(71-34-17-16-33-69(71)74)59-39-42-70-66(48-59)67-49-68-65-46-55(56-24-21-45-76-51-56)35-36-57(65)52-79(3,60-26-10-5-11-27-60)73(68)50-72(67)77(70)58-25-20-32-64(47-58)80(61-28-12-6-13-29-61,62-30-14-7-15-31-62)63-40-37-54(38-41-63)53-22-8-4-9-23-53/h4-17,20-42,45-51H,18-19,43-44,52H2,1-3H3.

What are the key properties of [3-[6-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-14-methyl-14-phenyl-19-pyridin-3-yl-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16(21),17,19-nonaen-10-yl]phenyl]-diphenyl-(4-phenylphenyl)silane?

[3-[6-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-14-methyl-14-phenyl-19-pyridin-3-yl-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16(21),17,19-nonaen-10-yl]phenyl]-diphenyl-(4-phenylphenyl)silane has a molecular weight of 1062.52 g/mol, XLogP of 14.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[6-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-14-methyl-14-phenyl-19-pyridin-3-yl-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16(21),17,19-nonaen-10-yl]phenyl]-diphenyl-(4-phenylphenyl)silane is sourced from PubChem (CID 177133012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).