5-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]

C55H38N4 — CID 169058338

About 5-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]

5-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane] (PubChem CID 169058338) has the molecular formula C55H38N4 and a molecular weight of 754.94 g/mol. Its IUPAC name is 5-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane].

Molecular Properties

• Compound Name: 5-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]
• PubChem CID: 169058338
• Molecular Formula: C55H38N4
• Molecular Weight: 754.94 g/mol
• Exact Mass: 754.31
• IUPAC Name: 5-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]
• SMILES: c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3cc4c5c(c3)C3(CCCCC3)c3ccc6c7ccccc7n(c6c3-5)-c3ccccc3-4)n2)cc1
• InChI: InChI=1S/C55H38N4/c1-3-15-36(16-4-1)52-56-53(37-26-24-35(25-27-37)40-21-13-17-34-14-5-6-18-39(34)40)58-54(57-52)38-32-44-42-20-8-10-23-48(42)59-47-22-9-7-19-41(47)43-28-29-45-50(51(43)59)49(44)46(33-38)55(45)30-11-2-12-31-55/h1,3-10,13-29,32-33H,2,11-12,30-31H2
• InChIKey: GMUAUQBYGNBBDG-UHFFFAOYSA-N
• XLogP: 14.00
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	754.94
LogP ≤ 5	14.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]?

The IUPAC name of 5-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane] (CID 169058338) is 5-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane].

What is the SMILES notation for 5-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]?

The canonical SMILES for 5-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane] is c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3cc4c5c(c3)C3(CCCCC3)c3ccc6c7ccccc7n(c6c3-5)-c3ccccc3-4)n2)cc1.

What is the InChIKey of 5-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]?

The InChIKey is GMUAUQBYGNBBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N4/c1-3-15-36(16-4-1)52-56-53(37-26-24-35(25-27-37)40-21-13-17-34-14-5-6-18-39(34)40)58-54(57-52)38-32-44-42-20-8-10-23-48(42)59-47-22-9-7-19-41(47)43-28-29-45-50(51(43)59)49(44)46(33-38)55(45)30-11-2-12-31-55/h1,3-10,13-29,32-33H,2,11-12,30-31H2.

What are the key properties of 5-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]?

5-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane] has a molecular weight of 754.94 g/mol, XLogP of 14.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane] is sourced from PubChem (CID 169058338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).