4-naphthalen-2-yl-2-phenyl-6-[3-[7-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine

C104H66N4O2 — CID 155442879

About 4-naphthalen-2-yl-2-phenyl-6-[3-[7-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine

4-naphthalen-2-yl-2-phenyl-6-[3-[7-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine (PubChem CID 155442879) has the molecular formula C104H66N4O2 and a molecular weight of 1403.70 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2-phenyl-6-[3-[7-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine.

Molecular Properties

• Compound Name: 4-naphthalen-2-yl-2-phenyl-6-[3-[7-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine
• PubChem CID: 155442879
• Molecular Formula: C104H66N4O2
• Molecular Weight: 1403.70 g/mol
• Exact Mass: 1402.52
• IUPAC Name: 4-naphthalen-2-yl-2-phenyl-6-[3-[7-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine
• SMILES: C1=CC2=C(CC1)C1(c3ccccc3Oc3c(-c4cccc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccccc6)n5)c4)cccc31)c1cc(-c3ccccc3-c3cc(-c4cccc(-c5cccc6c5Oc5ccccc5C65c6ccccc6-c6ccccc65)c4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc12
• InChI: InChI=1S/C104H66N4O2/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/h1-15,17-43,45-64H,16,44H2
• InChIKey: ZOURKTQKCYOYFR-UHFFFAOYSA-N
• XLogP: 26.12
• 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	1403.70
LogP ≤ 5	26.12
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-[7-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine?

The IUPAC name of 4-naphthalen-2-yl-2-phenyl-6-[3-[7-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine (CID 155442879) is 4-naphthalen-2-yl-2-phenyl-6-[3-[7-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine.

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

The canonical SMILES for 4-naphthalen-2-yl-2-phenyl-6-[3-[7-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine is C1=CC2=C(CC1)C1(c3ccccc3Oc3c(-c4cccc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccccc6)n5)c4)cccc31)c1cc(-c3ccccc3-c3cc(-c4cccc(-c5cccc6c5Oc5ccccc5C65c6ccccc6-c6ccccc65)c4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc12.

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

The InChIKey is ZOURKTQKCYOYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H66N4O2/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/h1-15,17-43,45-64H,16,44H2.

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

4-naphthalen-2-yl-2-phenyl-6-[3-[7-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine has a molecular weight of 1403.70 g/mol, XLogP of 26.12, 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-[7-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine is sourced from PubChem (CID 155442879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).