3-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphthalen-1-yl]benzonitrile;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine

C188H126N10O2 — CID 159092205

IUPAC3-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphthalen-1-yl]benzonitrile;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine
SMILESCc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccc(-c2ccc(-c3ccc(-c4ccc(C#N)cc4)c4ccccc34)cc2)cc1.Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccc(-c2ccc(-c3ccc(-c4cccc(C#N)c4)cc3)c3ccccc23)cc1.Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1.Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccc(-c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/2C48H32N2O.2C46H31N3/c1-31-45(33-15-4-2-5-16-33)49-47(35-17-6-3-7-18-35)50-46(31)34-29-27-32(28-30-34)36-20-14-24-41-44(36)37-19-8-9-21-38(37)48(41)39-22-10-12-25-42(39)51-43-26-13-11-23-40(43)48;1-31-45(33-14-4-2-5-15-33)49-47(35-16-6-3-7-17-35)50-46(31)34-26-24-32(25-27-34)36-28-29-38-37-18-8-9-19-39(37)48(42(38)30-36)40-20-10-12-22-43(40)51-44-23-13-11-21-41(44)48;1-31-44(36-12-4-2-5-13-36)48-46(38-14-6-3-7-15-38)49-45(31)37-25-23-35(24-26-37)41-28-27-40(42-17-8-9-18-43(41)42)34-21-19-33(20-22-34)39-16-10-11-32(29-39)30-47;1-31-44(37-10-4-2-5-11-37)48-46(39-12-6-3-7-13-39)49-45(31)38-26-22-34(23-27-38)33-20-24-36(25-21-33)41-29-28-40(42-14-8-9-15-43(41)42)35-18-16-32(30-47)17-19-35/h2*2-30H,1H3;2*2-29H,1H3
InChIKeyKCFAJXCXXWNWCW-UHFFFAOYSA-N
MW2557.14 g/mol
LogP47.47
Rot. Bonds20

About 3-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphthalen-1-yl]benzonitrile;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine

3-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphthalen-1-yl]benzonitrile;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine (PubChem CID 159092205) has the molecular formula C188H126N10O2 and a molecular weight of 2557.14 g/mol. Its IUPAC name is 3-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphthalen-1-yl]benzonitrile;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine.

Molecular Properties

Compound Name3-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphthalen-1-yl]benzonitrile;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine
PubChem CID159092205
Molecular FormulaC188H126N10O2
Molecular Weight2557.14 g/mol
Exact Mass2555.01
IUPAC Name3-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphthalen-1-yl]benzonitrile;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine
SMILESCc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccc(-c2ccc(-c3ccc(-c4ccc(C#N)cc4)c4ccccc34)cc2)cc1.Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccc(-c2ccc(-c3ccc(-c4cccc(C#N)c4)cc3)c3ccccc23)cc1.Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1.Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccc(-c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/2C48H32N2O.2C46H31N3/c1-31-45(33-15-4-2-5-16-33)49-47(35-17-6-3-7-18-35)50-46(31)34-29-27-32(28-30-34)36-20-14-24-41-44(36)37-19-8-9-21-38(37)48(41)39-22-10-12-25-42(39)51-43-26-13-11-23-40(43)48;1-31-45(33-14-4-2-5-15-33)49-47(35-16-6-3-7-17-35)50-46(31)34-26-24-32(25-27-34)36-28-29-38-37-18-8-9-19-39(37)48(42(38)30-36)40-20-10-12-22-43(40)51-44-23-13-11-21-41(44)48;1-31-44(36-12-4-2-5-13-36)48-46(38-14-6-3-7-15-38)49-45(31)37-25-23-35(24-26-37)41-28-27-40(42-17-8-9-18-43(41)42)34-21-19-33(20-22-34)39-16-10-11-32(29-39)30-47;1-31-44(37-10-4-2-5-11-37)48-46(39-12-6-3-7-13-39)49-45(31)38-26-22-34(23-27-38)33-20-24-36(25-21-33)41-29-28-40(42-14-8-9-15-43(41)42)35-18-16-32(30-47)17-19-35/h2*2-30H,1H3;2*2-29H,1H3
InChIKeyKCFAJXCXXWNWCW-UHFFFAOYSA-N
XLogP47.47
TPSA169.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002557.14
LogP ≤ 547.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphthalen-1-yl]benzonitrile;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine with MolForge

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Related Compounds

7-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-carbonitrile
CID 147845671
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-[6-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4-yl]benzonitrile
CID 139476262
3-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 147225873
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
4-[2'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile
CID 146913231
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-[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-[2'-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]benzonitrile
CID 166738009
3-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 158006206
3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]benzonitrile
CID 146362302
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphthalen-1-yl]benzonitrile;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine?
The IUPAC name of 3-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphthalen-1-yl]benzonitrile;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine (CID 159092205) is 3-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphthalen-1-yl]benzonitrile;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine.
What is the SMILES notation for 3-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphthalen-1-yl]benzonitrile;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine?
The canonical SMILES for 3-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphthalen-1-yl]benzonitrile;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine is Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccc(-c2ccc(-c3ccc(-c4ccc(C#N)cc4)c4ccccc34)cc2)cc1.Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccc(-c2ccc(-c3ccc(-c4cccc(C#N)c4)cc3)c3ccccc23)cc1.Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1.Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccc(-c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 3-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphthalen-1-yl]benzonitrile;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine?
The InChIKey is KCFAJXCXXWNWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H32N2O.2C46H31N3/c1-31-45(33-15-4-2-5-16-33)49-47(35-17-6-3-7-18-35)50-46(31)34-29-27-32(28-30-34)36-20-14-24-41-44(36)37-19-8-9-21-38(37)48(41)39-22-10-12-25-42(39)51-43-26-13-11-23-40(43)48;1-31-45(33-14-4-2-5-15-33)49-47(35-16-6-3-7-17-35)50-46(31)34-26-24-32(25-27-34)36-28-29-38-37-18-8-9-19-39(37)48(42(38)30-36)40-20-10-12-22-43(40)51-44-23-13-11-21-41(44)48;1-31-44(36-12-4-2-5-13-36)48-46(38-14-6-3-7-15-38)49-45(31)37-25-23-35(24-26-37)41-28-27-40(42-17-8-9-18-43(41)42)34-21-19-33(20-22-34)39-16-10-11-32(29-39)30-47;1-31-44(37-10-4-2-5-11-37)48-46(39-12-6-3-7-13-39)49-45(31)38-26-22-34(23-27-38)33-20-24-36(25-21-33)41-29-28-40(42-14-8-9-15-43(41)42)35-18-16-32(30-47)17-19-35/h2*2-30H,1H3;2*2-29H,1H3.
What are the key properties of 3-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphthalen-1-yl]benzonitrile;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine?
3-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphthalen-1-yl]benzonitrile;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine has a molecular weight of 2557.14 g/mol, XLogP of 47.47, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphthalen-1-yl]benzonitrile;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine;5-methyl-2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine is sourced from PubChem (CID 159092205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).