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

C156H95N9O3 — CID 160882389

IUPAC4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile
SMILESN#Cc1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cccc32)cc1.N#Cc1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3c(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cccc32)cc1.N#Cc1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3c(-c4nc(-c5ccccc5)cc(-c5cccc(-c6ccccc6)c5)n4)cccc32)cc1
InChIInChI=1S/2C54H33N3O.C48H29N3O/c55-34-35-28-30-37(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;55-34-35-25-27-37(28-26-35)42-19-12-23-47-52(42)58-50-24-10-9-21-45(50)54(47)44-20-8-7-17-43(44)51-41(18-11-22-46(51)54)36-29-31-39(32-30-36)49-33-48(38-13-3-1-4-14-38)56-53(57-49)40-15-5-2-6-16-40;49-30-31-25-27-32(28-26-31)35-18-11-23-41-46(35)52-44-24-10-9-21-39(44)48(41)38-20-8-7-17-36(38)45-37(19-12-22-40(45)48)43-29-42(33-13-3-1-4-14-33)50-47(51-43)34-15-5-2-6-16-34/h2*1-33H;1-29H
InChIKeySNEXNQSJEMYIHR-UHFFFAOYSA-N
MW2143.54 g/mol
LogP37.79
Rot. Bonds14

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

4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile (PubChem CID 160882389) has the molecular formula C156H95N9O3 and a molecular weight of 2143.54 g/mol. Its IUPAC name is 4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]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-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile
PubChem CID160882389
Molecular FormulaC156H95N9O3
Molecular Weight2143.54 g/mol
Exact Mass2141.76
IUPAC Name4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile
SMILESN#Cc1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cccc32)cc1.N#Cc1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3c(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cccc32)cc1.N#Cc1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3c(-c4nc(-c5ccccc5)cc(-c5cccc(-c6ccccc6)c5)n4)cccc32)cc1
InChIInChI=1S/2C54H33N3O.C48H29N3O/c55-34-35-28-30-37(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;55-34-35-25-27-37(28-26-35)42-19-12-23-47-52(42)58-50-24-10-9-21-45(50)54(47)44-20-8-7-17-43(44)51-41(18-11-22-46(51)54)36-29-31-39(32-30-36)49-33-48(38-13-3-1-4-14-38)56-53(57-49)40-15-5-2-6-16-40;49-30-31-25-27-32(28-26-31)35-18-11-23-41-46(35)52-44-24-10-9-21-39(44)48(41)38-20-8-7-17-36(38)45-37(19-12-22-40(45)48)43-29-42(33-13-3-1-4-14-33)50-47(51-43)34-15-5-2-6-16-34/h2*1-33H;1-29H
InChIKeySNEXNQSJEMYIHR-UHFFFAOYSA-N
XLogP37.79
TPSA176.40 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002143.54
LogP ≤ 537.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]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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Related Compounds

4-[4'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]benzonitrile;4-[4'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]benzonitrile
CID 159371573
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
4-[6-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4-yl]benzonitrile
CID 139476262
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-carbonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile
CID 159819243
4-[4-[3-[2-[3-[6'-cyano-4-[3-[4-[6-[3-(6'-cyanospiro[fluorene-9,9'-xanthene]-3'-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-6'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-carbonitrile
CID 163794326
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 137388381
4-naphthalen-2-yl-6-phenyl-2-[4-[4-[3-[2-[6-phenyl-2-[4-[4-[3-phenyl-5-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine
CID 146343206
4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)benzonitrile
CID 155767812
4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[benzo[c]fluorene-7,9'-xanthene]-4'-yl]benzonitrile
CID 161128839
4-[4'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[benzo[c]fluorene-7,9'-xanthene]-5-yl]benzonitrile
CID 157175356
4-phenyl-2-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine
CID 146661051
2,4-bis(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 140947259

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]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-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile (CID 160882389) is 4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]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-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]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-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile is N#Cc1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cccc32)cc1.N#Cc1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3c(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cccc32)cc1.N#Cc1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3c(-c4nc(-c5ccccc5)cc(-c5cccc(-c6ccccc6)c5)n4)cccc32)cc1.
What is the InChIKey of 4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile?
The InChIKey is SNEXNQSJEMYIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H33N3O.C48H29N3O/c55-34-35-28-30-37(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;55-34-35-25-27-37(28-26-35)42-19-12-23-47-52(42)58-50-24-10-9-21-45(50)54(47)44-20-8-7-17-43(44)51-41(18-11-22-46(51)54)36-29-31-39(32-30-36)49-33-48(38-13-3-1-4-14-38)56-53(57-49)40-15-5-2-6-16-40;49-30-31-25-27-32(28-26-31)35-18-11-23-41-46(35)52-44-24-10-9-21-39(44)48(41)38-20-8-7-17-36(38)45-37(19-12-22-40(45)48)43-29-42(33-13-3-1-4-14-33)50-47(51-43)34-15-5-2-6-16-34/h2*1-33H;1-29H.
What are the key properties of 4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile?
4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile has a molecular weight of 2143.54 g/mol, XLogP of 37.79, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile is sourced from PubChem (CID 160882389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).