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

C70H52N4 — CID 129263734

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

2'-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] (PubChem CID 129263734) has the molecular formula C70H52N4 and a molecular weight of 949.21 g/mol. Its IUPAC name is 2'-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 2'-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
• PubChem CID: 129263734
• Molecular Formula: C70H52N4
• Molecular Weight: 949.21 g/mol
• Exact Mass: 948.42
• IUPAC Name: 2'-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
• SMILES: c1ccc(-c2ccc(C3NC(c4ccc(-c5ccccc5)cc4)NC(c4cccc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-7)c7ccccc7N(c7ccccc7)c7ccccc76)cc5)c4)N3)cc2)cc1
• InChI: InChI=1S/C70H52N4/c1-4-17-47(18-5-1)49-35-39-53(40-36-49)67-71-68(54-41-37-50(38-42-54)48-19-6-2-7-20-48)73-69(72-67)57-22-16-21-55(45-57)51-31-33-52(34-32-51)56-43-44-60-59-25-10-11-26-61(59)70(64(60)46-56)62-27-12-14-29-65(62)74(58-23-8-3-9-24-58)66-30-15-13-28-63(66)70/h1-46,67-69,71-73H
• InChIKey: PHRATNWZNAMBLK-UHFFFAOYSA-N
• XLogP: 16.68
• TPSA: 39.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	949.21
LogP ≤ 5	16.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2'-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] (CID 129263734) is 2'-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene].

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

The canonical SMILES for 2'-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] is c1ccc(-c2ccc(C3NC(c4ccc(-c5ccccc5)cc4)NC(c4cccc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-7)c7ccccc7N(c7ccccc7)c7ccccc76)cc5)c4)N3)cc2)cc1.

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

The InChIKey is PHRATNWZNAMBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H52N4/c1-4-17-47(18-5-1)49-35-39-53(40-36-49)67-71-68(54-41-37-50(38-42-54)48-19-6-2-7-20-48)73-69(72-67)57-22-16-21-55(45-57)51-31-33-52(34-32-51)56-43-44-60-59-25-10-11-26-61(59)70(64(60)46-56)62-27-12-14-29-65(62)74(58-23-8-3-9-24-58)66-30-15-13-28-63(66)70/h1-46,67-69,71-73H.

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

2'-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] has a molecular weight of 949.21 g/mol, XLogP of 16.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 129263734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).