4-naphthalen-2-yl-6-phenyl-2-[4-[3-[4-(6-phenyl-2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine

C92H58N4O2 — CID 155443305

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

4-naphthalen-2-yl-6-phenyl-2-[4-[3-[4-(6-phenyl-2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine (PubChem CID 155443305) has the molecular formula C92H58N4O2 and a molecular weight of 1251.50 g/mol. Its IUPAC name is 4-naphthalen-2-yl-6-phenyl-2-[4-[3-[4-(6-phenyl-2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine.

Molecular Properties

• Compound Name: 4-naphthalen-2-yl-6-phenyl-2-[4-[3-[4-(6-phenyl-2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine
• PubChem CID: 155443305
• Molecular Formula: C92H58N4O2
• Molecular Weight: 1251.50 g/mol
• Exact Mass: 1250.46
• IUPAC Name: 4-naphthalen-2-yl-6-phenyl-2-[4-[3-[4-(6-phenyl-2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine
• SMILES: C1=CC2c3ccccc3C3(c4ccccc4Oc4c(-c5nc(-c6ccccc6)cc(-c6ccc(-c7cccc(-c8cccc9c8-c8ccccc8C98c9ccccc9Oc9c(-c%10nc(-c%11ccccc%11)cc(-c%11ccc%12ccccc%12c%11)n%10)cccc98)c7)cc6)n5)cccc43)C2C=C1
• InChI: InChI=1S/C92H58N4O2/c1-3-24-59(25-4-1)80-55-82(95-89(93-80)70-35-21-43-78-87(70)97-84-45-17-15-40-75(84)91(78)72-37-12-9-31-67(72)68-32-10-13-38-73(68)91)61-50-47-58(48-51-61)63-29-19-30-64(53-63)66-34-20-42-77-86(66)69-33-11-14-39-74(69)92(77)76-41-16-18-46-85(76)98-88-71(36-22-44-79(88)92)90-94-81(60-26-5-2-6-27-60)56-83(96-90)65-52-49-57-23-7-8-28-62(57)54-65/h1-56,67,72H
• InChIKey: QDRIRUVMGQDGOB-UHFFFAOYSA-N
• XLogP: 22.50
• TPSA: 70.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1251.50
LogP ≤ 5	22.50
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-[4-[3-[4-(6-phenyl-2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine?

The IUPAC name of 4-naphthalen-2-yl-6-phenyl-2-[4-[3-[4-(6-phenyl-2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine (CID 155443305) is 4-naphthalen-2-yl-6-phenyl-2-[4-[3-[4-(6-phenyl-2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine.

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

The canonical SMILES for 4-naphthalen-2-yl-6-phenyl-2-[4-[3-[4-(6-phenyl-2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine is C1=CC2c3ccccc3C3(c4ccccc4Oc4c(-c5nc(-c6ccccc6)cc(-c6ccc(-c7cccc(-c8cccc9c8-c8ccccc8C98c9ccccc9Oc9c(-c%10nc(-c%11ccccc%11)cc(-c%11ccc%12ccccc%12c%11)n%10)cccc98)c7)cc6)n5)cccc43)C2C=C1.

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

The InChIKey is QDRIRUVMGQDGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H58N4O2/c1-3-24-59(25-4-1)80-55-82(95-89(93-80)70-35-21-43-78-87(70)97-84-45-17-15-40-75(84)91(78)72-37-12-9-31-67(72)68-32-10-13-38-73(68)91)61-50-47-58(48-51-61)63-29-19-30-64(53-63)66-34-20-42-77-86(66)69-33-11-14-39-74(69)92(77)76-41-16-18-46-85(76)98-88-71(36-22-44-79(88)92)90-94-81(60-26-5-2-6-27-60)56-83(96-90)65-52-49-57-23-7-8-28-62(57)54-65/h1-56,67,72H.

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

4-naphthalen-2-yl-6-phenyl-2-[4-[3-[4-(6-phenyl-2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine has a molecular weight of 1251.50 g/mol, XLogP of 22.50, 8 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-[4-[3-[4-(6-phenyl-2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine is sourced from PubChem (CID 155443305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).