15-phenyl-4'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]

C53H33N5 — CID 129262820

About 15-phenyl-4'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]

15-phenyl-4'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene] (PubChem CID 129262820) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 15-phenyl-4'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene].

Molecular Properties

• Compound Name: 15-phenyl-4'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
• PubChem CID: 129262820
• Molecular Formula: C53H33N5
• Molecular Weight: 739.88 g/mol
• Exact Mass: 739.27
• IUPAC Name: 15-phenyl-4'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4ccccc4C54c5ccccc5-n5c(-c6ccccc6)nc6cccc4c65)n3)cc2)cc1
• InChI: InChI=1S/C53H33N5/c1-4-16-34(17-5-1)35-30-32-37(33-31-35)50-55-49(36-18-6-2-7-19-36)56-51(57-50)40-23-14-26-43-47(40)39-22-10-11-24-41(39)53(43)42-25-12-13-29-46(42)58-48-44(53)27-15-28-45(48)54-52(58)38-20-8-3-9-21-38/h1-33H
• InChIKey: LWVPNHBPXDFYCR-UHFFFAOYSA-N
• XLogP: 12.22
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.88
LogP ≤ 5	12.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 15-phenyl-4'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]?

The IUPAC name of 15-phenyl-4'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene] (CID 129262820) is 15-phenyl-4'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene].

What is the SMILES notation for 15-phenyl-4'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]?

The canonical SMILES for 15-phenyl-4'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene] is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4ccccc4C54c5ccccc5-n5c(-c6ccccc6)nc6cccc4c65)n3)cc2)cc1.

What is the InChIKey of 15-phenyl-4'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]?

The InChIKey is LWVPNHBPXDFYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c1-4-16-34(17-5-1)35-30-32-37(33-31-35)50-55-49(36-18-6-2-7-19-36)56-51(57-50)40-23-14-26-43-47(40)39-22-10-11-24-41(39)53(43)42-25-12-13-29-46(42)58-48-44(53)27-15-28-45(48)54-52(58)38-20-8-3-9-21-38/h1-33H.

What are the key properties of 15-phenyl-4'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]?

15-phenyl-4'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene] has a molecular weight of 739.88 g/mol, XLogP of 12.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 15-phenyl-4'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene] is sourced from PubChem (CID 129262820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).