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

C98H64N6O2 — CID 155443238

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

2-cyclohexa-1,5-dien-1-yl-4-[3-[2'-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-6-(2-spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine (PubChem CID 155443238) has the molecular formula C98H64N6O2 and a molecular weight of 1357.63 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-[3-[2'-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-6-(2-spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-cyclohexa-1,5-dien-1-yl-4-[3-[2'-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-6-(2-spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine
• PubChem CID: 155443238
• Molecular Formula: C98H64N6O2
• Molecular Weight: 1357.63 g/mol
• Exact Mass: 1356.51
• IUPAC Name: 2-cyclohexa-1,5-dien-1-yl-4-[3-[2'-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-6-(2-spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine
• SMILES: C1=CC(c2nc(-c3cccc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccc(-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccccc7-c7ccccc7)n6)cc54)c3)nc(-c3ccccc3C3=CC4C(C=C3)Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)=CCC1
• InChI: InChI=1S/C98H64N6O2/c1-4-28-61(29-5-1)68-36-10-13-41-74(68)95-101-92(63-32-8-3-9-33-63)102-96(104-95)76-43-15-12-38-70(76)66-55-57-89-85(60-66)98(82-50-23-25-53-87(82)106-89)80-48-21-18-44-77(80)90-71(45-27-51-83(90)98)64-34-26-35-67(58-64)93-99-91(62-30-6-2-7-31-62)100-94(103-93)75-42-14-11-37-69(75)65-54-56-88-84(59-65)97(81-49-22-24-52-86(81)105-88)78-46-19-16-39-72(78)73-40-17-20-47-79(73)97/h1,3-6,8-60,84,88H,2,7H2
• InChIKey: OBFOQGYZINBVIL-UHFFFAOYSA-N
• XLogP: 22.94
• TPSA: 95.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1357.63
LogP ≤ 5	22.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-[3-[2'-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-6-(2-spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine (CID 155443238) is 2-cyclohexa-1,5-dien-1-yl-4-[3-[2'-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-6-(2-spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine.

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

The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-[3-[2'-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-6-(2-spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine is C1=CC(c2nc(-c3cccc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccc(-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccccc7-c7ccccc7)n6)cc54)c3)nc(-c3ccccc3C3=CC4C(C=C3)Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)=CCC1.

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

The InChIKey is OBFOQGYZINBVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H64N6O2/c1-4-28-61(29-5-1)68-36-10-13-41-74(68)95-101-92(63-32-8-3-9-33-63)102-96(104-95)76-43-15-12-38-70(76)66-55-57-89-85(60-66)98(82-50-23-25-53-87(82)106-89)80-48-21-18-44-77(80)90-71(45-27-51-83(90)98)64-34-26-35-67(58-64)93-99-91(62-30-6-2-7-31-62)100-94(103-93)75-42-14-11-37-69(75)65-54-56-88-84(59-65)97(81-49-22-24-52-86(81)105-88)78-46-19-16-39-72(78)73-40-17-20-47-79(73)97/h1,3-6,8-60,84,88H,2,7H2.

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

2-cyclohexa-1,5-dien-1-yl-4-[3-[2'-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-6-(2-spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine has a molecular weight of 1357.63 g/mol, XLogP of 22.94, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexa-1,5-dien-1-yl-4-[3-[2'-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-6-(2-spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155443238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).