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

C104H64N4O2 — CID 130379499

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

4-naphthalen-2-yl-2-phenyl-6-[3-[2-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine (PubChem CID 130379499) has the molecular formula C104H64N4O2 and a molecular weight of 1401.68 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2-phenyl-6-[3-[2-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine.

Molecular Properties

• Compound Name: 4-naphthalen-2-yl-2-phenyl-6-[3-[2-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine
• PubChem CID: 130379499
• Molecular Formula: C104H64N4O2
• Molecular Weight: 1401.68 g/mol
• Exact Mass: 1400.50
• IUPAC Name: 4-naphthalen-2-yl-2-phenyl-6-[3-[2-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc6c5Oc5ccccc5C65c6ccccc6-c6ccccc65)c4)cc(-c4ccccc4-c4ccc5c(c4)C4(c6ccccc6Oc6c(-c7cccc(-c8cc(-c9ccc%10ccccc%10c9)nc(-c9ccccc9)n8)c7)cccc64)c4ccccc4-5)n3)cc2)cc1
• InChI: InChI=1S/C104H64N4O2/c1-3-25-65(26-4-1)67-51-54-69(55-52-67)102-107-95(75-34-22-32-72(61-75)78-40-23-47-90-99(78)109-97-49-19-17-45-88(97)103(90)85-42-14-11-36-80(85)81-37-12-15-43-86(81)103)64-96(108-102)84-39-10-9-35-77(84)73-57-58-83-82-38-13-16-44-87(82)104(92(83)62-73)89-46-18-20-50-98(89)110-100-79(41-24-48-91(100)104)71-31-21-33-74(60-71)93-63-94(106-101(105-93)68-28-5-2-6-29-68)76-56-53-66-27-7-8-30-70(66)59-76/h1-64H
• InChIKey: KGRSDCHIENMCLR-UHFFFAOYSA-N
• XLogP: 26.03
• TPSA: 70.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1401.68
LogP ≤ 5	26.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-naphthalen-2-yl-2-phenyl-6-[3-[2-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine (CID 130379499) is 4-naphthalen-2-yl-2-phenyl-6-[3-[2-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine.

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

The canonical SMILES for 4-naphthalen-2-yl-2-phenyl-6-[3-[2-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc6c5Oc5ccccc5C65c6ccccc6-c6ccccc65)c4)cc(-c4ccccc4-c4ccc5c(c4)C4(c6ccccc6Oc6c(-c7cccc(-c8cc(-c9ccc%10ccccc%10c9)nc(-c9ccccc9)n8)c7)cccc64)c4ccccc4-5)n3)cc2)cc1.

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

The InChIKey is KGRSDCHIENMCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H64N4O2/c1-3-25-65(26-4-1)67-51-54-69(55-52-67)102-107-95(75-34-22-32-72(61-75)78-40-23-47-90-99(78)109-97-49-19-17-45-88(97)103(90)85-42-14-11-36-80(85)81-37-12-15-43-86(81)103)64-96(108-102)84-39-10-9-35-77(84)73-57-58-83-82-38-13-16-44-87(82)104(92(83)62-73)89-46-18-20-50-98(89)110-100-79(41-24-48-91(100)104)71-31-21-33-74(60-71)93-63-94(106-101(105-93)68-28-5-2-6-29-68)76-56-53-66-27-7-8-30-70(66)59-76/h1-64H.

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

4-naphthalen-2-yl-2-phenyl-6-[3-[2-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine has a molecular weight of 1401.68 g/mol, XLogP of 26.03, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-naphthalen-2-yl-2-phenyl-6-[3-[2-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine is sourced from PubChem (CID 130379499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).