10-phenyl-2'-[2-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]

C64H44N4 — CID 137217476

About 10-phenyl-2'-[2-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]

10-phenyl-2'-[2-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] (PubChem CID 137217476) has the molecular formula C64H44N4 and a molecular weight of 869.08 g/mol. Its IUPAC name is 10-phenyl-2'-[2-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 10-phenyl-2'-[2-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
• PubChem CID: 137217476
• Molecular Formula: C64H44N4
• Molecular Weight: 869.08 g/mol
• Exact Mass: 868.36
• IUPAC Name: 10-phenyl-2'-[2-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
• SMILES: c1ccc(-c2ccc(C3=NC(c4ccccc4-c4ccccc4-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5N(c5ccccc5)c5ccccc54)=NC(c4ccccc4)N3)cc2)cc1
• InChI: InChI=1S/C64H44N4/c1-4-20-43(21-5-1)44-36-38-46(39-37-44)62-65-61(45-22-6-2-7-23-45)66-63(67-62)54-30-13-12-28-51(54)50-27-11-10-26-49(50)47-40-41-53-52-29-14-15-31-55(52)64(58(53)42-47)56-32-16-18-34-59(56)68(48-24-8-3-9-25-48)60-35-19-17-33-57(60)64/h1-42,61H,(H,65,66,67)
• InChIKey: YVTPEJNBPRXZPH-UHFFFAOYSA-N
• XLogP: 15.33
• TPSA: 39.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.08
LogP ≤ 5	15.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-2'-[2-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]?

The IUPAC name of 10-phenyl-2'-[2-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] (CID 137217476) is 10-phenyl-2'-[2-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene].

What is the SMILES notation for 10-phenyl-2'-[2-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]?

The canonical SMILES for 10-phenyl-2'-[2-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] is c1ccc(-c2ccc(C3=NC(c4ccccc4-c4ccccc4-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5N(c5ccccc5)c5ccccc54)=NC(c4ccccc4)N3)cc2)cc1.

What is the InChIKey of 10-phenyl-2'-[2-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]?

The InChIKey is YVTPEJNBPRXZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N4/c1-4-20-43(21-5-1)44-36-38-46(39-37-44)62-65-61(45-22-6-2-7-23-45)66-63(67-62)54-30-13-12-28-51(54)50-27-11-10-26-49(50)47-40-41-53-52-29-14-15-31-55(52)64(58(53)42-47)56-32-16-18-34-59(56)68(48-24-8-3-9-25-48)60-35-19-17-33-57(60)64/h1-42,61H,(H,65,66,67).

What are the key properties of 10-phenyl-2'-[2-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]?

10-phenyl-2'-[2-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] has a molecular weight of 869.08 g/mol, XLogP of 15.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-phenyl-2'-[2-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 137217476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).