21-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene-8,9'-fluorene]

C56H34N4 — CID 138731574

About 21-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene-8,9'-fluorene]

21-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene-8,9'-fluorene] (PubChem CID 138731574) has the molecular formula C56H34N4 and a molecular weight of 762.92 g/mol. Its IUPAC name is 21-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene-8,9'-fluorene].

Molecular Properties

• Compound Name: 21-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene-8,9'-fluorene]
• PubChem CID: 138731574
• Molecular Formula: C56H34N4
• Molecular Weight: 762.92 g/mol
• Exact Mass: 762.28
• IUPAC Name: 21-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene-8,9'-fluorene]
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c6cccc7c6c(cc54)-c4ccccc4C74c5ccccc5-c5ccccc54)n3)cc2)cc1
• InChI: InChI=1S/C56H34N4/c1-3-16-35(17-4-1)36-30-32-38(33-31-36)54-57-53(37-18-5-2-6-19-37)58-55(59-54)60-49-29-14-10-23-42(49)52-43-24-15-28-48-51(43)44(34-50(52)60)41-22-9-13-27-47(41)56(48)45-25-11-7-20-39(45)40-21-8-12-26-46(40)56/h1-34H
• InChIKey: DFLMTXJZKGOSGK-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 21-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene-8,9'-fluorene]?

The IUPAC name of 21-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene-8,9'-fluorene] (CID 138731574) is 21-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene-8,9'-fluorene].

What is the SMILES notation for 21-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene-8,9'-fluorene]?

The canonical SMILES for 21-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene-8,9'-fluorene] is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c6cccc7c6c(cc54)-c4ccccc4C74c5ccccc5-c5ccccc54)n3)cc2)cc1.

What is the InChIKey of 21-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene-8,9'-fluorene]?

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

What are the key properties of 21-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene-8,9'-fluorene]?

21-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene-8,9'-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 21-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene-8,9'-fluorene] is sourced from PubChem (CID 138731574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).