5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(9-phenylcarbazol-4-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 142481837

About 5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(9-phenylcarbazol-4-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]

5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(9-phenylcarbazol-4-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 142481837) has the molecular formula C64H39N5 and a molecular weight of 878.05 g/mol. Its IUPAC name is 5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(9-phenylcarbazol-4-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: 5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(9-phenylcarbazol-4-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: 142481837
• Molecular Formula: C64H39N5
• Molecular Weight: 878.05 g/mol
• Exact Mass: 877.32
• IUPAC Name: 5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(9-phenylcarbazol-4-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(-c5cccc6c5c5ccccc5n6-c5ccccc5)ccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)n2)cc1
• InChI: InChI=1S/C64H39N5/c1-4-19-40(20-5-1)61-65-62(41-21-6-2-7-22-41)67-63(66-61)48-29-17-31-52-58(48)49-39-42(44-27-18-36-57-59(44)47-26-11-14-34-55(47)68(57)43-23-8-3-9-24-43)37-38-50(49)64(52)51-30-12-15-35-56(51)69-54-33-13-10-25-45(54)46-28-16-32-53(64)60(46)69/h1-39H
• InChIKey: VYJHOQNQDYJKDO-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 5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(9-phenylcarbazol-4-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 5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(9-phenylcarbazol-4-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 142481837) is 5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(9-phenylcarbazol-4-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 5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(9-phenylcarbazol-4-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 5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(9-phenylcarbazol-4-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(-c5cccc6c5c5ccccc5n6-c5ccccc5)ccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)n2)cc1.

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

What are the key properties of 5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(9-phenylcarbazol-4-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]?

5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(9-phenylcarbazol-4-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 5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(9-phenylcarbazol-4-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 142481837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).