18-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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]

C56H34N4 — CID 167177890

About 18-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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]

18-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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 167177890) has the molecular formula C56H34N4 and a molecular weight of 762.92 g/mol. Its IUPAC name is 18-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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: 18-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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: 167177890
• Molecular Formula: C56H34N4
• Molecular Weight: 762.92 g/mol
• Exact Mass: 762.28
• IUPAC Name: 18-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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(-c3cccc4c(-c5cccc6c5-n5c7ccccc7c7cccc(c75)C65c6ccccc6-c6ccccc65)cccc34)n2)cc1
• InChI: InChI=1S/C56H34N4/c1-3-17-35(18-4-1)53-57-54(36-19-5-2-6-20-36)59-55(58-53)45-29-14-24-37-38(25-13-26-39(37)45)43-27-15-32-48-51(43)60-50-34-12-9-23-42(50)44-28-16-33-49(52(44)60)56(48)46-30-10-7-21-40(46)41-22-8-11-31-47(41)56/h1-34H
• InChIKey: WUMLMHABCRLHKR-UHFFFAOYSA-N
• XLogP: 13.47
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.92
LogP ≤ 5	13.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 18-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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 18-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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 167177890) is 18-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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 18-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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 18-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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(-c3cccc4c(-c5cccc6c5-n5c7ccccc7c7cccc(c75)C65c6ccccc6-c6ccccc65)cccc34)n2)cc1.

What is the InChIKey of 18-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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 WUMLMHABCRLHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4/c1-3-17-35(18-4-1)53-57-54(36-19-5-2-6-20-36)59-55(58-53)45-29-14-24-37-38(25-13-26-39(37)45)43-27-15-32-48-51(43)60-50-34-12-9-23-42(50)44-28-16-33-49(52(44)60)56(48)46-30-10-7-21-40(46)41-22-8-11-31-47(41)56/h1-34H.

What are the key properties of 18-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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]?

18-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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 762.92 g/mol, XLogP of 13.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 18-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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 167177890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).