N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N,9-diphenyl-6-triphenylsilylcarbazol-3-amine

C59H44N2Si — CID 90306227

About N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N,9-diphenyl-6-triphenylsilylcarbazol-3-amine

N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N,9-diphenyl-6-triphenylsilylcarbazol-3-amine (PubChem CID 90306227) has the molecular formula C59H44N2Si and a molecular weight of 809.10 g/mol. Its IUPAC name is N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N,9-diphenyl-6-triphenylsilylcarbazol-3-amine.

Molecular Properties

• Compound Name: N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N,9-diphenyl-6-triphenylsilylcarbazol-3-amine
• PubChem CID: 90306227
• Molecular Formula: C59H44N2Si
• Molecular Weight: 809.10 g/mol
• Exact Mass: 808.33
• IUPAC Name: N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N,9-diphenyl-6-triphenylsilylcarbazol-3-amine
• SMILES: CC1(C)c2cccc3ccc4cc(N(c5ccccc5)c5ccc6c(c5)c5cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)ccc5n6-c5ccccc5)cc1c4c23
• InChI: InChI=1S/C59H44N2Si/c1-59(2)53-30-18-19-41-31-32-42-37-46(39-54(59)58(42)57(41)53)60(43-20-8-3-9-21-43)45-33-35-55-51(38-45)52-40-50(34-36-56(52)61(55)44-22-10-4-11-23-44)62(47-24-12-5-13-25-47,48-26-14-6-15-27-48)49-28-16-7-17-29-49/h3-40H,1-2H3
• InChIKey: OBJSZGZULOCZFS-UHFFFAOYSA-N
• XLogP: 12.58
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.10
LogP ≤ 5	12.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N,9-diphenyl-6-triphenylsilylcarbazol-3-amine?

The IUPAC name of N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N,9-diphenyl-6-triphenylsilylcarbazol-3-amine (CID 90306227) is N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N,9-diphenyl-6-triphenylsilylcarbazol-3-amine.

What is the SMILES notation for N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N,9-diphenyl-6-triphenylsilylcarbazol-3-amine?

The canonical SMILES for N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N,9-diphenyl-6-triphenylsilylcarbazol-3-amine is CC1(C)c2cccc3ccc4cc(N(c5ccccc5)c5ccc6c(c5)c5cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)ccc5n6-c5ccccc5)cc1c4c23.

What is the InChIKey of N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N,9-diphenyl-6-triphenylsilylcarbazol-3-amine?

The InChIKey is OBJSZGZULOCZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44N2Si/c1-59(2)53-30-18-19-41-31-32-42-37-46(39-54(59)58(42)57(41)53)60(43-20-8-3-9-21-43)45-33-35-55-51(38-45)52-40-50(34-36-56(52)61(55)44-22-10-4-11-23-44)62(47-24-12-5-13-25-47,48-26-14-6-15-27-48)49-28-16-7-17-29-49/h3-40H,1-2H3.

What are the key properties of N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N,9-diphenyl-6-triphenylsilylcarbazol-3-amine?

N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N,9-diphenyl-6-triphenylsilylcarbazol-3-amine has a molecular weight of 809.10 g/mol, XLogP of 12.58, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N,9-diphenyl-6-triphenylsilylcarbazol-3-amine is sourced from PubChem (CID 90306227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).