2-[7-[6-[4-[3-[4-[7-(2-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile

C102H60N6O2 — CID 167177280

About 2-[7-[6-[4-[3-[4-[7-(2-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile

2-[7-[6-[4-[3-[4-[7-(2-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile (PubChem CID 167177280) has the molecular formula C102H60N6O2 and a molecular weight of 1401.64 g/mol. Its IUPAC name is 2-[7-[6-[4-[3-[4-[7-(2-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile.

Molecular Properties

• Compound Name: 2-[7-[6-[4-[3-[4-[7-(2-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile
• PubChem CID: 167177280
• Molecular Formula: C102H60N6O2
• Molecular Weight: 1401.64 g/mol
• Exact Mass: 1400.48
• IUPAC Name: 2-[7-[6-[4-[3-[4-[7-(2-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile
• SMILES: N#Cc1ccccc1-c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(-c3cc(-c4ccc(-c5cccc(-c6nc(-c7ccc(-c8ccccc8)cc7)cc(-c7ccc8c(c7)C7(c9ccccc9Oc9ccccc97)c7cc(-c9ccccc9C#N)ccc7-8)n6)c5)cc4)nc(-c4ccccc4)n3)ccc1-2
• InChI: InChI=1S/C102H60N6O2/c103-61-75-24-7-9-28-77(75)70-46-50-79-81-52-48-72(57-89(81)101(87(79)55-70)83-30-11-15-34-95(83)109-96-35-16-12-31-84(96)101)93-59-91(105-99(107-93)68-22-5-2-6-23-68)67-44-40-65(41-45-67)69-26-19-27-74(54-69)100-106-92(66-42-38-64(39-43-66)63-20-3-1-4-21-63)60-94(108-100)73-49-53-82-80-51-47-71(78-29-10-8-25-76(78)62-104)56-88(80)102(90(82)58-73)85-32-13-17-36-97(85)110-98-37-18-14-33-86(98)102/h1-60H
• InChIKey: YNBVHIHFPZVIOU-UHFFFAOYSA-N
• XLogP: 24.62
• TPSA: 117.60 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1401.64
LogP ≤ 5	24.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[7-[6-[4-[3-[4-[7-(2-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile?

The IUPAC name of 2-[7-[6-[4-[3-[4-[7-(2-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile (CID 167177280) is 2-[7-[6-[4-[3-[4-[7-(2-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile.

What is the SMILES notation for 2-[7-[6-[4-[3-[4-[7-(2-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile?

The canonical SMILES for 2-[7-[6-[4-[3-[4-[7-(2-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile is N#Cc1ccccc1-c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(-c3cc(-c4ccc(-c5cccc(-c6nc(-c7ccc(-c8ccccc8)cc7)cc(-c7ccc8c(c7)C7(c9ccccc9Oc9ccccc97)c7cc(-c9ccccc9C#N)ccc7-8)n6)c5)cc4)nc(-c4ccccc4)n3)ccc1-2.

What is the InChIKey of 2-[7-[6-[4-[3-[4-[7-(2-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile?

The InChIKey is YNBVHIHFPZVIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H60N6O2/c103-61-75-24-7-9-28-77(75)70-46-50-79-81-52-48-72(57-89(81)101(87(79)55-70)83-30-11-15-34-95(83)109-96-35-16-12-31-84(96)101)93-59-91(105-99(107-93)68-22-5-2-6-23-68)67-44-40-65(41-45-67)69-26-19-27-74(54-69)100-106-92(66-42-38-64(39-43-66)63-20-3-1-4-21-63)60-94(108-100)73-49-53-82-80-51-47-71(78-29-10-8-25-76(78)62-104)56-88(80)102(90(82)58-73)85-32-13-17-36-97(85)110-98-37-18-14-33-86(98)102/h1-60H.

What are the key properties of 2-[7-[6-[4-[3-[4-[7-(2-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile?

2-[7-[6-[4-[3-[4-[7-(2-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile has a molecular weight of 1401.64 g/mol, XLogP of 24.62, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-[6-[4-[3-[4-[7-(2-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile is sourced from PubChem (CID 167177280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).