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

C64H42N4 — CID 139521181

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

2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] (PubChem CID 139521181) has the molecular formula C64H42N4 and a molecular weight of 867.07 g/mol. Its IUPAC name is 2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
• PubChem CID: 139521181
• Molecular Formula: C64H42N4
• Molecular Weight: 867.07 g/mol
• Exact Mass: 866.34
• IUPAC Name: 2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6N(c6ccccc6)c6ccccc65)cc4)n3)cc2)cc1
• InChI: InChI=1S/C64H42N4/c1-4-16-43(17-5-1)45-28-34-48(35-29-45)61-65-62(49-36-30-46(31-37-49)44-18-6-2-7-19-44)67-63(66-61)50-38-32-47(33-39-50)51-40-41-54-53-22-10-11-23-55(53)64(58(54)42-51)56-24-12-14-26-59(56)68(52-20-8-3-9-21-52)60-27-15-13-25-57(60)64/h1-42H
• InChIKey: AARDJYMTKPDOCA-UHFFFAOYSA-N
• XLogP: 16.02
• TPSA: 41.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.07
LogP ≤ 5	16.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] (CID 139521181) is 2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene].

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

The canonical SMILES for 2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6N(c6ccccc6)c6ccccc65)cc4)n3)cc2)cc1.

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

The InChIKey is AARDJYMTKPDOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4/c1-4-16-43(17-5-1)45-28-34-48(35-29-45)61-65-62(49-36-30-46(31-37-49)44-18-6-2-7-19-44)67-63(66-61)50-38-32-47(33-39-50)51-40-41-54-53-22-10-11-23-55(53)64(58(54)42-51)56-24-12-14-26-59(56)68(52-20-8-3-9-21-52)60-27-15-13-25-57(60)64/h1-42H.

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

2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] has a molecular weight of 867.07 g/mol, XLogP of 16.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 139521181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).