2-[4-[4-[1-methyl-7'-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-yl]phenyl]phenyl]-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine

C111H72N6O2 — CID 155442466

About 2-[4-[4-[1-methyl-7'-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-yl]phenyl]phenyl]-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine

2-[4-[4-[1-methyl-7'-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-yl]phenyl]phenyl]-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine (PubChem CID 155442466) has the molecular formula C111H72N6O2 and a molecular weight of 1521.84 g/mol. Its IUPAC name is 2-[4-[4-[1-methyl-7'-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-yl]phenyl]phenyl]-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-[4-[1-methyl-7'-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-yl]phenyl]phenyl]-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
• PubChem CID: 155442466
• Molecular Formula: C111H72N6O2
• Molecular Weight: 1521.84 g/mol
• Exact Mass: 1520.57
• IUPAC Name: 2-[4-[4-[1-methyl-7'-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-yl]phenyl]phenyl]-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
• SMILES: CC1CC=CC2=C1C1(c3ccc(-c4ccc(-c5ccc(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccc(-c8ccc9c(c8)C8(c%10ccccc%10O9)c9ccccc9-c9ccccc98)cc7)n6)cc5)cc4)cc3Oc3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)cc4)cc31)c1ccccc12
• InChI: InChI=1S/C111H72N6O2/c1-69-21-19-33-91-90-32-13-16-36-94(90)111(103(69)91)96-62-59-86(68-102(96)119-101-64-61-85(67-98(101)111)76-49-57-82(58-50-76)108-112-104(78-26-9-4-10-27-78)116-109(117-108)87-29-20-28-83(65-87)71-24-7-3-8-25-71)77-41-39-73(40-42-77)74-45-53-80(54-46-74)106-113-105(79-51-43-72(44-52-79)70-22-5-2-6-23-70)114-107(115-106)81-55-47-75(48-56-81)84-60-63-100-97(66-84)110(95-37-17-18-38-99(95)118-100)92-34-14-11-30-88(92)89-31-12-15-35-93(89)110/h2-20,22-69H,21H2,1H3
• InChIKey: ZEOAYAYBFBQVJN-UHFFFAOYSA-N
• XLogP: 27.33
• TPSA: 95.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1521.84
LogP ≤ 5	27.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[1-methyl-7'-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-yl]phenyl]phenyl]-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine?

The IUPAC name of 2-[4-[4-[1-methyl-7'-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-yl]phenyl]phenyl]-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine (CID 155442466) is 2-[4-[4-[1-methyl-7'-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-yl]phenyl]phenyl]-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-[4-[4-[1-methyl-7'-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-yl]phenyl]phenyl]-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-[4-[4-[1-methyl-7'-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-yl]phenyl]phenyl]-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine is CC1CC=CC2=C1C1(c3ccc(-c4ccc(-c5ccc(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccc(-c8ccc9c(c8)C8(c%10ccccc%10O9)c9ccccc9-c9ccccc98)cc7)n6)cc5)cc4)cc3Oc3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)cc4)cc31)c1ccccc12.

What is the InChIKey of 2-[4-[4-[1-methyl-7'-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-yl]phenyl]phenyl]-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine?

The InChIKey is ZEOAYAYBFBQVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C111H72N6O2/c1-69-21-19-33-91-90-32-13-16-36-94(90)111(103(69)91)96-62-59-86(68-102(96)119-101-64-61-85(67-98(101)111)76-49-57-82(58-50-76)108-112-104(78-26-9-4-10-27-78)116-109(117-108)87-29-20-28-83(65-87)71-24-7-3-8-25-71)77-41-39-73(40-42-77)74-45-53-80(54-46-74)106-113-105(79-51-43-72(44-52-79)70-22-5-2-6-23-70)114-107(115-106)81-55-47-75(48-56-81)84-60-63-100-97(66-84)110(95-37-17-18-38-99(95)118-100)92-34-14-11-30-88(92)89-31-12-15-35-93(89)110/h2-20,22-69H,21H2,1H3.

What are the key properties of 2-[4-[4-[1-methyl-7'-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-yl]phenyl]phenyl]-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine?

2-[4-[4-[1-methyl-7'-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-yl]phenyl]phenyl]-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine has a molecular weight of 1521.84 g/mol, XLogP of 27.33, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[1-methyl-7'-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-yl]phenyl]phenyl]-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155442466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).