3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-1,3,5-triazin-2-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-13,9'-fluorene]

C64H39N5 — CID 142481678

About 3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-1,3,5-triazin-2-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-13,9'-fluorene]

3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-1,3,5-triazin-2-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-13,9'-fluorene] (PubChem CID 142481678) has the molecular formula C64H39N5 and a molecular weight of 878.05 g/mol. Its IUPAC name is 3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-1,3,5-triazin-2-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-13,9'-fluorene].

Molecular Properties

• Compound Name: 3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-1,3,5-triazin-2-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-13,9'-fluorene]
• PubChem CID: 142481678
• Molecular Formula: C64H39N5
• Molecular Weight: 878.05 g/mol
• Exact Mass: 877.32
• IUPAC Name: 3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-1,3,5-triazin-2-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-13,9'-fluorene]
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)n2)cc1
• InChI: InChI=1S/C64H39N5/c1-3-18-40(19-4-1)61-65-62(41-20-5-2-6-21-41)67-63(66-61)49-28-17-30-53-59(49)50-39-43(42-22-15-23-44(38-42)68-55-32-11-7-24-45(55)46-25-8-12-33-56(46)68)36-37-51(50)64(53)52-29-10-14-35-58(52)69-57-34-13-9-26-47(57)48-27-16-31-54(64)60(48)69/h1-39H
• InChIKey: LFCKJWCMDPMAHC-UHFFFAOYSA-N
• XLogP: 15.41
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	878.05
LogP ≤ 5	15.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-1,3,5-triazin-2-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-13,9'-fluorene]?

The IUPAC name of 3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-1,3,5-triazin-2-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-13,9'-fluorene] (CID 142481678) is 3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-1,3,5-triazin-2-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-13,9'-fluorene].

What is the SMILES notation for 3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-1,3,5-triazin-2-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-13,9'-fluorene]?

The canonical SMILES for 3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-1,3,5-triazin-2-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-13,9'-fluorene] is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)n2)cc1.

What is the InChIKey of 3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-1,3,5-triazin-2-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-13,9'-fluorene]?

The InChIKey is LFCKJWCMDPMAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39N5/c1-3-18-40(19-4-1)61-65-62(41-20-5-2-6-21-41)67-63(66-61)49-28-17-30-53-59(49)50-39-43(42-22-15-23-44(38-42)68-55-32-11-7-24-45(55)46-25-8-12-33-56(46)68)36-37-51(50)64(53)52-29-10-14-35-58(52)69-57-34-13-9-26-47(57)48-27-16-31-54(64)60(48)69/h1-39H.

What are the key properties of 3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-1,3,5-triazin-2-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-13,9'-fluorene]?

3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-1,3,5-triazin-2-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-13,9'-fluorene] has a molecular weight of 878.05 g/mol, XLogP of 15.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-1,3,5-triazin-2-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-13,9'-fluorene] is sourced from PubChem (CID 142481678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).