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

C109H70N4O2 — CID 146342988

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

4-(9,9-dimethylfluoren-2-yl)-2-[3-[7'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine (PubChem CID 146342988) has the molecular formula C109H70N4O2 and a molecular weight of 1467.78 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-2-[3-[7'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine.

Molecular Properties

• Compound Name: 4-(9,9-dimethylfluoren-2-yl)-2-[3-[7'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
• PubChem CID: 146342988
• Molecular Formula: C109H70N4O2
• Molecular Weight: 1467.78 g/mol
• Exact Mass: 1466.55
• IUPAC Name: 4-(9,9-dimethylfluoren-2-yl)-2-[3-[7'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)nc(-c4cccc(-c5ccc6c(c5)C5(c7cc(-c8cccc(-c9cccc(-c%10cc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)c8)ccc7O6)c6ccccc6-c6ccccc65)c4)n3)cc21
• InChI: InChI=1S/C109H70N4O2/c1-107(2)87-43-16-11-37-80(87)85-54-50-77(64-93(85)107)99-66-100(86-42-10-9-36-79(86)75-53-57-104-96(63-75)108(92-48-21-22-49-101(92)114-104)88-44-17-12-38-81(88)82-39-13-18-45-89(82)108)113-106(112-99)78-35-25-33-72(60-78)74-52-56-103-95(62-74)109(90-46-19-14-40-83(90)84-41-15-20-47-91(84)109)94-61-73(51-55-102(94)115-103)70-31-23-30-69(58-70)71-32-24-34-76(59-71)98-65-97(67-26-5-3-6-27-67)110-105(111-98)68-28-7-4-8-29-68/h3-66H,1-2H3
• InChIKey: CUIUCLDZYDWRTN-UHFFFAOYSA-N
• XLogP: 27.18
• TPSA: 70.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1467.78
LogP ≤ 5	27.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-2-[3-[7'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine (CID 146342988) is 4-(9,9-dimethylfluoren-2-yl)-2-[3-[7'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine.

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

The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-2-[3-[7'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)nc(-c4cccc(-c5ccc6c(c5)C5(c7cc(-c8cccc(-c9cccc(-c%10cc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)c8)ccc7O6)c6ccccc6-c6ccccc65)c4)n3)cc21.

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

The InChIKey is CUIUCLDZYDWRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C109H70N4O2/c1-107(2)87-43-16-11-37-80(87)85-54-50-77(64-93(85)107)99-66-100(86-42-10-9-36-79(86)75-53-57-104-96(63-75)108(92-48-21-22-49-101(92)114-104)88-44-17-12-38-81(88)82-39-13-18-45-89(82)108)113-106(112-99)78-35-25-33-72(60-78)74-52-56-103-95(62-74)109(90-46-19-14-40-83(90)84-41-15-20-47-91(84)109)94-61-73(51-55-102(94)115-103)70-31-23-30-69(58-70)71-32-24-34-76(59-71)98-65-97(67-26-5-3-6-27-67)110-105(111-98)68-28-7-4-8-29-68/h3-66H,1-2H3.

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

4-(9,9-dimethylfluoren-2-yl)-2-[3-[7'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine has a molecular weight of 1467.78 g/mol, XLogP of 27.18, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(9,9-dimethylfluoren-2-yl)-2-[3-[7'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine is sourced from PubChem (CID 146342988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).