4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile

C214H130N12O4 — CID 157175099

IUPAC4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4c(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cccc43)c3ccccc23)cc1.N#Cc1ccc(-c2ccc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4c(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cccc43)cc2)cc1.N#Cc1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3c(-c4nc(-c5ccccc5)cc(-c5cccc(-c6ccccc6)c5)n4)cccc32)cc1.N#Cc1cccc2c1Oc1ccccc1C21c2ccccc2-c2c(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cccc21
InChIInChI=1S/C58H35N3O.2C54H33N3O.C48H29N3O/c59-36-37-29-31-38(32-30-37)41-33-34-44(43-20-8-7-19-42(41)43)45-22-13-27-51-56(45)62-54-28-12-11-25-49(54)58(51)48-24-10-9-21-46(48)55-47(23-14-26-50(55)58)57-60-52(39-15-3-1-4-16-39)35-53(61-57)40-17-5-2-6-18-40;55-34-35-28-30-37(31-29-35)41-21-12-26-47-52(41)58-50-27-10-9-24-45(50)54(47)44-23-8-7-20-42(44)51-43(22-13-25-46(51)54)53-56-48(38-16-5-2-6-17-38)33-49(57-53)40-19-11-18-39(32-40)36-14-3-1-4-15-36;55-34-35-25-27-36(28-26-35)37-29-31-38(32-30-37)41-18-11-23-47-52(41)58-50-24-10-9-21-45(50)54(47)44-20-8-7-17-42(44)51-43(19-12-22-46(51)54)53-56-48(39-13-3-1-4-14-39)33-49(57-53)40-15-5-2-6-16-40;49-30-35-17-11-23-41-46(35)52-44-24-10-9-21-39(44)48(41)38-20-8-7-18-37(38)45-36(19-12-22-40(45)48)31-25-27-34(28-26-31)47-50-42(32-13-3-1-4-14-32)29-43(51-47)33-15-5-2-6-16-33/h1-35H;2*1-33H;1-29H
InChIKeyANXKXFLADBQMPF-UHFFFAOYSA-N
MW2933.47 g/mol
LogP52.09
Rot. Bonds19

About 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile

4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile (PubChem CID 157175099) has the molecular formula C214H130N12O4 and a molecular weight of 2933.47 g/mol. Its IUPAC name is 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile
PubChem CID157175099
Molecular FormulaC214H130N12O4
Molecular Weight2933.47 g/mol
Exact Mass2931.03
IUPAC Name4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4c(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cccc43)c3ccccc23)cc1.N#Cc1ccc(-c2ccc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4c(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cccc43)cc2)cc1.N#Cc1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3c(-c4nc(-c5ccccc5)cc(-c5cccc(-c6ccccc6)c5)n4)cccc32)cc1.N#Cc1cccc2c1Oc1ccccc1C21c2ccccc2-c2c(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cccc21
InChIInChI=1S/C58H35N3O.2C54H33N3O.C48H29N3O/c59-36-37-29-31-38(32-30-37)41-33-34-44(43-20-8-7-19-42(41)43)45-22-13-27-51-56(45)62-54-28-12-11-25-49(54)58(51)48-24-10-9-21-46(48)55-47(23-14-26-50(55)58)57-60-52(39-15-3-1-4-16-39)35-53(61-57)40-17-5-2-6-18-40;55-34-35-28-30-37(31-29-35)41-21-12-26-47-52(41)58-50-27-10-9-24-45(50)54(47)44-23-8-7-20-42(44)51-43(22-13-25-46(51)54)53-56-48(38-16-5-2-6-17-38)33-49(57-53)40-19-11-18-39(32-40)36-14-3-1-4-15-36;55-34-35-25-27-36(28-26-35)37-29-31-38(32-30-37)41-18-11-23-47-52(41)58-50-24-10-9-21-45(50)54(47)44-20-8-7-17-42(44)51-43(19-12-22-46(51)54)53-56-48(39-13-3-1-4-14-39)33-49(57-53)40-15-5-2-6-16-40;49-30-35-17-11-23-41-46(35)52-44-24-10-9-21-39(44)48(41)38-20-8-7-18-37(38)45-36(19-12-22-40(45)48)31-25-27-34(28-26-31)47-50-42(32-13-3-1-4-14-32)29-43(51-47)33-15-5-2-6-16-33/h1-35H;2*1-33H;1-29H
InChIKeyANXKXFLADBQMPF-UHFFFAOYSA-N
XLogP52.09
TPSA235.20 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms230
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002933.47
LogP ≤ 552.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile?
The IUPAC name of 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile (CID 157175099) is 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile.
What is the SMILES notation for 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile?
The canonical SMILES for 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile is N#Cc1ccc(-c2ccc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4c(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cccc43)c3ccccc23)cc1.N#Cc1ccc(-c2ccc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4c(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cccc43)cc2)cc1.N#Cc1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3c(-c4nc(-c5ccccc5)cc(-c5cccc(-c6ccccc6)c5)n4)cccc32)cc1.N#Cc1cccc2c1Oc1ccccc1C21c2ccccc2-c2c(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cccc21.
What is the InChIKey of 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile?
The InChIKey is ANXKXFLADBQMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3O.2C54H33N3O.C48H29N3O/c59-36-37-29-31-38(32-30-37)41-33-34-44(43-20-8-7-19-42(41)43)45-22-13-27-51-56(45)62-54-28-12-11-25-49(54)58(51)48-24-10-9-21-46(48)55-47(23-14-26-50(55)58)57-60-52(39-15-3-1-4-16-39)35-53(61-57)40-17-5-2-6-18-40;55-34-35-28-30-37(31-29-35)41-21-12-26-47-52(41)58-50-27-10-9-24-45(50)54(47)44-23-8-7-20-42(44)51-43(22-13-25-46(51)54)53-56-48(38-16-5-2-6-17-38)33-49(57-53)40-19-11-18-39(32-40)36-14-3-1-4-15-36;55-34-35-25-27-36(28-26-35)37-29-31-38(32-30-37)41-18-11-23-47-52(41)58-50-24-10-9-21-45(50)54(47)44-20-8-7-17-42(44)51-43(19-12-22-46(51)54)53-56-48(39-13-3-1-4-14-39)33-49(57-53)40-15-5-2-6-16-40;49-30-35-17-11-23-41-46(35)52-44-24-10-9-21-39(44)48(41)38-20-8-7-18-37(38)45-36(19-12-22-40(45)48)31-25-27-34(28-26-31)47-50-42(32-13-3-1-4-14-32)29-43(51-47)33-15-5-2-6-16-33/h1-35H;2*1-33H;1-29H.
What are the key properties of 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile?
4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile has a molecular weight of 2933.47 g/mol, XLogP of 52.09, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile is sourced from PubChem (CID 157175099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).