4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine

C112H70N4O2 — CID 155443385

About 4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine

4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine (PubChem CID 155443385) has the molecular formula C112H70N4O2 and a molecular weight of 1503.82 g/mol. Its IUPAC name is 4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine.

Molecular Properties

• Compound Name: 4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
• PubChem CID: 155443385
• Molecular Formula: C112H70N4O2
• Molecular Weight: 1503.82 g/mol
• Exact Mass: 1502.55
• IUPAC Name: 4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
• SMILES: c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc(-c6ccc7c(c6)C6(c8cc(-c9ccc(-c%10nc(-c%11ccccc%11)cc(-c%11cccc(-c%12ccccc%12)c%11)n%10)cc9)ccc8O7)c7ccccc7-c7ccccc76)c5)cc4)nc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)cc4)n3)cc2)cc1
• InChI: InChI=1S/C112H70N4O2/c1-4-22-71(23-5-1)73-42-50-78(51-43-73)102-69-103(115-109(114-102)80-54-46-75(47-55-80)85-58-61-106-98(66-85)111(97-40-18-19-41-105(97)117-106)93-36-14-10-32-89(93)90-33-11-15-37-94(90)111)79-52-44-74(45-53-79)82-28-20-30-84(64-82)87-60-63-108-100(68-87)112(95-38-16-12-34-91(95)92-35-13-17-39-96(92)112)99-67-86(59-62-107(99)118-108)76-48-56-81(57-49-76)110-113-101(77-26-8-3-9-27-77)70-104(116-110)88-31-21-29-83(65-88)72-24-6-2-7-25-72/h1-70H
• InChIKey: NTINCGIKYJVWDW-UHFFFAOYSA-N
• XLogP: 28.21
• TPSA: 70.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1503.82
LogP ≤ 5	28.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine?

The IUPAC name of 4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine (CID 155443385) is 4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine.

What is the SMILES notation for 4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine?

The canonical SMILES for 4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc(-c6ccc7c(c6)C6(c8cc(-c9ccc(-c%10nc(-c%11ccccc%11)cc(-c%11cccc(-c%12ccccc%12)c%11)n%10)cc9)ccc8O7)c7ccccc7-c7ccccc76)c5)cc4)nc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)cc4)n3)cc2)cc1.

What is the InChIKey of 4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine?

The InChIKey is NTINCGIKYJVWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H70N4O2/c1-4-22-71(23-5-1)73-42-50-78(51-43-73)102-69-103(115-109(114-102)80-54-46-75(47-55-80)85-58-61-106-98(66-85)111(97-40-18-19-41-105(97)117-106)93-36-14-10-32-89(93)90-33-11-15-37-94(90)111)79-52-44-74(45-53-79)82-28-20-30-84(64-82)87-60-63-108-100(68-87)112(95-38-16-12-34-91(95)92-35-13-17-39-96(92)112)99-67-86(59-62-107(99)118-108)76-48-56-81(57-49-76)110-113-101(77-26-8-3-9-27-77)70-104(116-110)88-31-21-29-83(65-88)72-24-6-2-7-25-72/h1-70H.

What are the key properties of 4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine?

4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine has a molecular weight of 1503.82 g/mol, XLogP of 28.21, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine is sourced from PubChem (CID 155443385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).