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

C100H60N6O2 — CID 155476648

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

2-phenanthren-2-yl-4-phenyl-6-[4-[3-[3-[4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine (PubChem CID 155476648) has the molecular formula C100H60N6O2 and a molecular weight of 1377.62 g/mol. Its IUPAC name is 2-phenanthren-2-yl-4-phenyl-6-[4-[3-[3-[4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-phenanthren-2-yl-4-phenyl-6-[4-[3-[3-[4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine
• PubChem CID: 155476648
• Molecular Formula: C100H60N6O2
• Molecular Weight: 1377.62 g/mol
• Exact Mass: 1376.48
• IUPAC Name: 2-phenanthren-2-yl-4-phenyl-6-[4-[3-[3-[4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6cccc7c6-c6ccccc6C76c7ccccc7Oc7cc(-c8nc(-c9ccccc9)nc(-c9ccc%10c(ccc%11ccccc%11%10)c9)n8)ccc76)c5)c4)nc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1
• InChI: InChI=1S/C100H60N6O2/c1-3-23-61(24-4-1)64-28-20-32-69(56-64)94-103-95(105-98(104-94)73-50-53-85-90(59-73)107-88-45-17-15-42-83(88)99(85)80-39-12-9-35-77(80)78-36-10-13-40-81(78)99)70-33-21-30-66(57-70)65-29-19-31-67(55-65)76-38-22-44-87-92(76)79-37-11-14-41-82(79)100(87)84-43-16-18-46-89(84)108-91-60-72(51-54-86(91)100)97-102-93(63-26-5-2-6-27-63)101-96(106-97)71-49-52-75-68(58-71)48-47-62-25-7-8-34-74(62)75/h1-60H
• InChIKey: ISUWWIZZCXMYRD-UHFFFAOYSA-N
• XLogP: 24.30
• TPSA: 95.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1377.62
LogP ≤ 5	24.30
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-[4-[3-[3-[4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine?

The IUPAC name of 2-phenanthren-2-yl-4-phenyl-6-[4-[3-[3-[4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine (CID 155476648) is 2-phenanthren-2-yl-4-phenyl-6-[4-[3-[3-[4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine.

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

The canonical SMILES for 2-phenanthren-2-yl-4-phenyl-6-[4-[3-[3-[4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6cccc7c6-c6ccccc6C76c7ccccc7Oc7cc(-c8nc(-c9ccccc9)nc(-c9ccc%10c(ccc%11ccccc%11%10)c9)n8)ccc76)c5)c4)nc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1.

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

The InChIKey is ISUWWIZZCXMYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H60N6O2/c1-3-23-61(24-4-1)64-28-20-32-69(56-64)94-103-95(105-98(104-94)73-50-53-85-90(59-73)107-88-45-17-15-42-83(88)99(85)80-39-12-9-35-77(80)78-36-10-13-40-81(78)99)70-33-21-30-66(57-70)65-29-19-31-67(55-65)76-38-22-44-87-92(76)79-37-11-14-41-82(79)100(87)84-43-16-18-46-89(84)108-91-60-72(51-54-86(91)100)97-102-93(63-26-5-2-6-27-63)101-96(106-97)71-49-52-75-68(58-71)48-47-62-25-7-8-34-74(62)75/h1-60H.

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

2-phenanthren-2-yl-4-phenyl-6-[4-[3-[3-[4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine has a molecular weight of 1377.62 g/mol, XLogP of 24.30, 9 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-[4-[3-[3-[4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine is sourced from PubChem (CID 155476648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).