2-phenanthren-2-yl-4-phenyl-6-[3-[6'-[3-[3-[4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine

C112H68N6O2 — CID 146343035

About 2-phenanthren-2-yl-4-phenyl-6-[3-[6'-[3-[3-[4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine

2-phenanthren-2-yl-4-phenyl-6-[3-[6'-[3-[3-[4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine (PubChem CID 146343035) has the molecular formula C112H68N6O2 and a molecular weight of 1529.82 g/mol. Its IUPAC name is 2-phenanthren-2-yl-4-phenyl-6-[3-[6'-[3-[3-[4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-phenanthren-2-yl-4-phenyl-6-[3-[6'-[3-[3-[4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine
• PubChem CID: 146343035
• Molecular Formula: C112H68N6O2
• Molecular Weight: 1529.82 g/mol
• Exact Mass: 1528.54
• IUPAC Name: 2-phenanthren-2-yl-4-phenyl-6-[3-[6'-[3-[3-[4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6ccc7c(c6)Oc6ccc(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccc%11c(ccc%12ccccc%12%11)c%10)n9)c8)cc6C76c7ccccc7-c7ccccc76)c5)c4)nc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)c4)n3)c2)cc1
• InChI: InChI=1S/C112H68N6O2/c1-3-24-69(25-4-1)72-29-20-35-82(61-72)107-115-108(117-109(116-107)85-38-23-34-77(64-85)78-54-58-102-99(66-78)111(97-48-17-18-49-101(97)119-102)93-44-13-9-40-89(93)90-41-10-14-45-94(90)111)83-36-21-32-75(62-83)73-30-19-31-74(60-73)80-53-57-98-104(68-80)120-103-59-55-79(67-100(103)112(98)95-46-15-11-42-91(95)92-43-12-16-47-96(92)112)76-33-22-37-84(63-76)106-113-105(71-27-5-2-6-28-71)114-110(118-106)86-52-56-88-81(65-86)51-50-70-26-7-8-39-87(70)88/h1-68H
• InChIKey: KDRYCXGYLIJGNM-UHFFFAOYSA-N
• XLogP: 27.64
• TPSA: 95.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1529.82
LogP ≤ 5	27.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-2-yl-4-phenyl-6-[3-[6'-[3-[3-[4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine?

The IUPAC name of 2-phenanthren-2-yl-4-phenyl-6-[3-[6'-[3-[3-[4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine (CID 146343035) is 2-phenanthren-2-yl-4-phenyl-6-[3-[6'-[3-[3-[4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-phenanthren-2-yl-4-phenyl-6-[3-[6'-[3-[3-[4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine?

The canonical SMILES for 2-phenanthren-2-yl-4-phenyl-6-[3-[6'-[3-[3-[4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6ccc7c(c6)Oc6ccc(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccc%11c(ccc%12ccccc%12%11)c%10)n9)c8)cc6C76c7ccccc7-c7ccccc76)c5)c4)nc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)c4)n3)c2)cc1.

What is the InChIKey of 2-phenanthren-2-yl-4-phenyl-6-[3-[6'-[3-[3-[4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine?

The InChIKey is KDRYCXGYLIJGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H68N6O2/c1-3-24-69(25-4-1)72-29-20-35-82(61-72)107-115-108(117-109(116-107)85-38-23-34-77(64-85)78-54-58-102-99(66-78)111(97-48-17-18-49-101(97)119-102)93-44-13-9-40-89(93)90-41-10-14-45-94(90)111)83-36-21-32-75(62-83)73-30-19-31-74(60-73)80-53-57-98-104(68-80)120-103-59-55-79(67-100(103)112(98)95-46-15-11-42-91(95)92-43-12-16-47-96(92)112)76-33-22-37-84(63-76)106-113-105(71-27-5-2-6-28-71)114-110(118-106)86-52-56-88-81(65-86)51-50-70-26-7-8-39-87(70)88/h1-68H.

What are the key properties of 2-phenanthren-2-yl-4-phenyl-6-[3-[6'-[3-[3-[4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine?

2-phenanthren-2-yl-4-phenyl-6-[3-[6'-[3-[3-[4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine has a molecular weight of 1529.82 g/mol, XLogP of 27.64, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenanthren-2-yl-4-phenyl-6-[3-[6'-[3-[3-[4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 146343035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).