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

C70H45N5 — CID 153224438

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

10-phenyl-3'-(9-phenylcarbazol-2-yl)-5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene] (PubChem CID 153224438) has the molecular formula C70H45N5 and a molecular weight of 956.17 g/mol. Its IUPAC name is 10-phenyl-3'-(9-phenylcarbazol-2-yl)-5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 10-phenyl-3'-(9-phenylcarbazol-2-yl)-5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
• PubChem CID: 153224438
• Molecular Formula: C70H45N5
• Molecular Weight: 956.17 g/mol
• Exact Mass: 955.37
• IUPAC Name: 10-phenyl-3'-(9-phenylcarbazol-2-yl)-5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4C54c5ccccc5N(c5ccccc5)c5ccccc54)n3)cc2)cc1
• InChI: InChI=1S/C70H45N5/c1-5-20-46(21-6-1)47-36-38-49(39-37-47)68-71-67(48-22-7-2-8-23-48)72-69(73-68)56-29-19-32-61-66(56)57-44-50(51-40-42-55-54-28-13-16-33-62(54)74(65(55)45-51)52-24-9-3-10-25-52)41-43-58(57)70(61)59-30-14-17-34-63(59)75(53-26-11-4-12-27-53)64-35-18-15-31-60(64)70/h1-45H
• InChIKey: WOHPFHNFVNHORY-UHFFFAOYSA-N
• XLogP: 17.45
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	956.17
LogP ≤ 5	17.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 10-phenyl-3'-(9-phenylcarbazol-2-yl)-5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene] (CID 153224438) is 10-phenyl-3'-(9-phenylcarbazol-2-yl)-5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene].

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

The canonical SMILES for 10-phenyl-3'-(9-phenylcarbazol-2-yl)-5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene] is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4C54c5ccccc5N(c5ccccc5)c5ccccc54)n3)cc2)cc1.

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

The InChIKey is WOHPFHNFVNHORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H45N5/c1-5-20-46(21-6-1)47-36-38-49(39-37-47)68-71-67(48-22-7-2-8-23-48)72-69(73-68)56-29-19-32-61-66(56)57-44-50(51-40-42-55-54-28-13-16-33-62(54)74(65(55)45-51)52-24-9-3-10-25-52)41-43-58(57)70(61)59-30-14-17-34-63(59)75(53-26-11-4-12-27-53)64-35-18-15-31-60(64)70/h1-45H.

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

10-phenyl-3'-(9-phenylcarbazol-2-yl)-5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene] has a molecular weight of 956.17 g/mol, XLogP of 17.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-phenyl-3'-(9-phenylcarbazol-2-yl)-5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 153224438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).