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

C102H64N6O2 — CID 155442481

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

2-naphthalen-2-yl-4-phenyl-6-[3-[2-[2-[4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]-1,3,5-triazine (PubChem CID 155442481) has the molecular formula C102H64N6O2 and a molecular weight of 1405.67 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenyl-6-[3-[2-[2-[4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-4-phenyl-6-[3-[2-[2-[4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]-1,3,5-triazine
• PubChem CID: 155442481
• Molecular Formula: C102H64N6O2
• Molecular Weight: 1405.67 g/mol
• Exact Mass: 1404.51
• IUPAC Name: 2-naphthalen-2-yl-4-phenyl-6-[3-[2-[2-[4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]-1,3,5-triazine
• SMILES: C1=CC2c3ccccc3C3(c4ccccc4Oc4c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc8ccccc8c7)n6)c5)cccc43)C2C=C1c1ccccc1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2cccc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)n1
• InChI: InChI=1S/C102H64N6O2/c1-3-25-63(26-4-1)65-51-54-67(55-52-65)96-105-98(73-34-22-32-70(61-73)76-40-23-47-88-93(76)109-91-49-19-17-45-86(91)101(88)83-42-14-11-36-78(83)79-37-12-15-43-84(79)101)108-100(107-96)82-39-10-9-35-75(82)71-57-58-81-80-38-13-16-44-85(80)102(90(81)62-71)87-46-18-20-50-92(87)110-94-77(41-24-48-89(94)102)69-31-21-33-72(60-69)97-103-95(66-28-5-2-6-29-66)104-99(106-97)74-56-53-64-27-7-8-30-68(64)59-74/h1-62,81,90H
• InChIKey: MRHJPKDSFCSZJQ-UHFFFAOYSA-N
• XLogP: 24.49
• TPSA: 95.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1405.67
LogP ≤ 5	24.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-[3-[2-[2-[4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]-1,3,5-triazine (CID 155442481) is 2-naphthalen-2-yl-4-phenyl-6-[3-[2-[2-[4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2-naphthalen-2-yl-4-phenyl-6-[3-[2-[2-[4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]-1,3,5-triazine is C1=CC2c3ccccc3C3(c4ccccc4Oc4c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc8ccccc8c7)n6)c5)cccc43)C2C=C1c1ccccc1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2cccc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)n1.

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

The InChIKey is MRHJPKDSFCSZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H64N6O2/c1-3-25-63(26-4-1)65-51-54-67(55-52-65)96-105-98(73-34-22-32-70(61-73)76-40-23-47-88-93(76)109-91-49-19-17-45-86(91)101(88)83-42-14-11-36-78(83)79-37-12-15-43-84(79)101)108-100(107-96)82-39-10-9-35-75(82)71-57-58-81-80-38-13-16-44-85(80)102(90(81)62-71)87-46-18-20-50-92(87)110-94-77(41-24-48-89(94)102)69-31-21-33-72(60-69)97-103-95(66-28-5-2-6-29-66)104-99(106-97)74-56-53-64-27-7-8-30-68(64)59-74/h1-62,81,90H.

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

2-naphthalen-2-yl-4-phenyl-6-[3-[2-[2-[4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]-1,3,5-triazine has a molecular weight of 1405.67 g/mol, XLogP of 24.49, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-2-yl-4-phenyl-6-[3-[2-[2-[4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 155442481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).