2-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine

C108H72N8 — CID 159702914

About 2-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine

2-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 159702914) has the molecular formula C108H72N8 and a molecular weight of 1481.82 g/mol. Its IUPAC name is 2-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 159702914
• Molecular Formula: C108H72N8
• Molecular Weight: 1481.82 g/mol
• Exact Mass: 1480.59
• IUPAC Name: 2-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine
• SMILES: CC1(C)c2cccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7cccnc7)cc6)n5)cc4)cc3)c2-c2c1ccc1ccccc21.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)cc3)nc(-c3ccc(-c4cccnc4)cc3)n2)cc1
• InChI: InChI=1S/C57H36N4.C51H36N4/c1-2-12-41(13-3-1)54-59-55(61-56(60-54)43-33-27-39(28-34-43)44-14-11-35-58-36-44)42-31-25-38(26-32-42)37-23-29-40(30-24-37)45-18-10-22-52-53(45)48-17-6-9-21-51(48)57(52)49-19-7-4-15-46(49)47-16-5-8-20-50(47)57;1-51(2)44-16-8-15-43(46(44)47-42-14-7-6-10-36(42)29-30-45(47)51)37-23-17-33(18-24-37)34-19-25-39(26-20-34)49-53-48(38-11-4-3-5-12-38)54-50(55-49)40-27-21-35(22-28-40)41-13-9-31-52-32-41/h1-36H;3-32H,1-2H3
• InChIKey: MXVUZNMSDBAOIQ-UHFFFAOYSA-N
• XLogP: 26.34
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1481.82
LogP ≤ 5	26.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine?

The IUPAC name of 2-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine (CID 159702914) is 2-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine?

The canonical SMILES for 2-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine is CC1(C)c2cccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7cccnc7)cc6)n5)cc4)cc3)c2-c2c1ccc1ccccc21.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)cc3)nc(-c3ccc(-c4cccnc4)cc3)n2)cc1.

What is the InChIKey of 2-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine?

The InChIKey is MXVUZNMSDBAOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4.C51H36N4/c1-2-12-41(13-3-1)54-59-55(61-56(60-54)43-33-27-39(28-34-43)44-14-11-35-58-36-44)42-31-25-38(26-32-42)37-23-29-40(30-24-37)45-18-10-22-52-53(45)48-17-6-9-21-51(48)57(52)49-19-7-4-15-46(49)47-16-5-8-20-50(47)57;1-51(2)44-16-8-15-43(46(44)47-42-14-7-6-10-36(42)29-30-45(47)51)37-23-17-33(18-24-37)34-19-25-39(26-20-34)49-53-48(38-11-4-3-5-12-38)54-50(55-49)40-27-21-35(22-28-40)41-13-9-31-52-32-41/h1-36H;3-32H,1-2H3.

What are the key properties of 2-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine?

2-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 1481.82 g/mol, XLogP of 26.34, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 159702914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).