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

C104H64N4O2 — CID 137388695

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

4-naphthalen-2-yl-6-phenyl-2-[2-[4-[3-[4-[6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine (PubChem CID 137388695) has the molecular formula C104H64N4O2 and a molecular weight of 1401.68 g/mol. Its IUPAC name is 4-naphthalen-2-yl-6-phenyl-2-[2-[4-[3-[4-[6-phenyl-2-(2-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-naphthalen-2-yl-6-phenyl-2-[2-[4-[3-[4-[6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
• PubChem CID: 137388695
• Molecular Formula: C104H64N4O2
• Molecular Weight: 1401.68 g/mol
• Exact Mass: 1400.50
• IUPAC Name: 4-naphthalen-2-yl-6-phenyl-2-[2-[4-[3-[4-[6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
• SMILES: c1ccc(-c2cc(-c3ccc(-c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccc(-c7ccccc7-c7nc(-c8ccccc8)cc(-c8ccc9ccccc9c8)n7)cc65)c4)cc3)nc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)n2)cc1
• InChI: InChI=1S/C104H64N4O2/c1-3-26-67(27-4-1)92-63-94(107-101(105-92)81-37-11-9-33-76(81)73-55-57-98-90(61-73)103(87-44-19-21-47-96(87)109-98)84-41-16-13-35-79(84)80-36-14-17-42-85(80)103)69-52-49-66(50-53-69)71-31-23-32-72(59-71)78-40-24-46-89-100(78)83-39-15-18-43-86(83)104(89)88-45-20-22-48-97(88)110-99-58-56-74(62-91(99)104)77-34-10-12-38-82(77)102-106-93(68-28-5-2-6-29-68)64-95(108-102)75-54-51-65-25-7-8-30-70(65)60-75/h1-64H
• InChIKey: YLSOTPCRHQMUKU-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-6-phenyl-2-[2-[4-[3-[4-[6-phenyl-2-(2-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-naphthalen-2-yl-6-phenyl-2-[2-[4-[3-[4-[6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine (CID 137388695) is 4-naphthalen-2-yl-6-phenyl-2-[2-[4-[3-[4-[6-phenyl-2-(2-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-naphthalen-2-yl-6-phenyl-2-[2-[4-[3-[4-[6-phenyl-2-(2-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-naphthalen-2-yl-6-phenyl-2-[2-[4-[3-[4-[6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine is c1ccc(-c2cc(-c3ccc(-c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccc(-c7ccccc7-c7nc(-c8ccccc8)cc(-c8ccc9ccccc9c8)n7)cc65)c4)cc3)nc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)n2)cc1.

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

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

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

4-naphthalen-2-yl-6-phenyl-2-[2-[4-[3-[4-[6-phenyl-2-(2-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 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-6-phenyl-2-[2-[4-[3-[4-[6-phenyl-2-(2-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 137388695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).