5',5'-dimethyl-2'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline]

C55H38N2Si — CID 140878560

About 5',5'-dimethyl-2'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline]

5',5'-dimethyl-2'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline] (PubChem CID 140878560) has the molecular formula C55H38N2Si and a molecular weight of 755.01 g/mol. Its IUPAC name is 5',5'-dimethyl-2'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline].

Molecular Properties

• Compound Name: 5',5'-dimethyl-2'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline]
• PubChem CID: 140878560
• Molecular Formula: C55H38N2Si
• Molecular Weight: 755.01 g/mol
• Exact Mass: 754.28
• IUPAC Name: 5',5'-dimethyl-2'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline]
• SMILES: C[Si]1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)ccc21
• InChI: InChI=1S/C55H38N2Si/c1-58(2)52-25-12-8-20-45(52)55(44-19-7-11-24-51(44)57-49-23-10-5-16-40(49)42-18-13-21-46(55)54(42)57)47-34-38(28-31-53(47)58)37-27-30-50-43(33-37)41-17-6-9-22-48(41)56(50)39-29-26-35-14-3-4-15-36(35)32-39/h3-34H,1-2H3
• InChIKey: MYSDFUCFDYHFMM-UHFFFAOYSA-N
• XLogP: 12.53
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.01
LogP ≤ 5	12.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5',5'-dimethyl-2'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline]?

The IUPAC name of 5',5'-dimethyl-2'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline] (CID 140878560) is 5',5'-dimethyl-2'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline].

What is the SMILES notation for 5',5'-dimethyl-2'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline]?

The canonical SMILES for 5',5'-dimethyl-2'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline] is C[Si]1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)ccc21.

What is the InChIKey of 5',5'-dimethyl-2'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline]?

The InChIKey is MYSDFUCFDYHFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2Si/c1-58(2)52-25-12-8-20-45(52)55(44-19-7-11-24-51(44)57-49-23-10-5-16-40(49)42-18-13-21-46(55)54(42)57)47-34-38(28-31-53(47)58)37-27-30-50-43(33-37)41-17-6-9-22-48(41)56(50)39-29-26-35-14-3-4-15-36(35)32-39/h3-34H,1-2H3.

What are the key properties of 5',5'-dimethyl-2'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline]?

5',5'-dimethyl-2'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline] has a molecular weight of 755.01 g/mol, XLogP of 12.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5',5'-dimethyl-2'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline] is sourced from PubChem (CID 140878560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).