4-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-phenylpyrimidin-2-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-2-phenylpyrimidin-4-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-phenylpyrimidin-4-yl]benzonitrile

C141H97N9 — CID 158050796

IUPAC4-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-phenylpyrimidin-2-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-2-phenylpyrimidin-4-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-phenylpyrimidin-4-yl]benzonitrile
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4cc(-c5ccc(C#N)cc5)nc(-c5ccccc5)n4)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccc(C#N)cc6)n5)c4)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4cc(-c5ccc(C#N)cc5)nc(-c5ccccc5)n4)ccc32)c2ccccc21
InChIInChI=1S/C51H35N3.2C45H31N3/c1-50(2)41-21-8-10-23-43(41)51(44-24-11-9-22-42(44)50)40-20-7-6-18-39(40)48-38(19-13-25-45(48)51)36-16-12-17-37(30-36)47-31-46(34-14-4-3-5-15-34)53-49(54-47)35-28-26-33(32-52)27-29-35;1-44(2)35-18-8-10-20-37(35)45(38-21-11-9-19-36(38)44)34-17-7-6-15-32(34)42-33(16-12-22-39(42)45)41-27-40(30-25-23-29(28-46)24-26-30)47-43(48-41)31-13-4-3-5-14-31;1-44(2)37-16-8-10-18-39(37)45(40-19-11-9-17-38(40)44)35-15-7-6-14-33(35)34-26-32(24-25-36(34)45)42-27-41(30-22-20-29(28-46)21-23-30)47-43(48-42)31-12-4-3-5-13-31/h3-31H,1-2H3;2*3-27H,1-2H3
InChIKeyFJLNISGFMHLKFJ-UHFFFAOYSA-N
MW1917.39 g/mol
LogP32.72
Rot. Bonds10

About 4-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-phenylpyrimidin-2-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-2-phenylpyrimidin-4-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-phenylpyrimidin-4-yl]benzonitrile

4-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-phenylpyrimidin-2-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-2-phenylpyrimidin-4-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-phenylpyrimidin-4-yl]benzonitrile (PubChem CID 158050796) has the molecular formula C141H97N9 and a molecular weight of 1917.39 g/mol. Its IUPAC name is 4-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-phenylpyrimidin-2-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-2-phenylpyrimidin-4-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-phenylpyrimidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-phenylpyrimidin-2-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-2-phenylpyrimidin-4-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-phenylpyrimidin-4-yl]benzonitrile
PubChem CID158050796
Molecular FormulaC141H97N9
Molecular Weight1917.39 g/mol
Exact Mass1915.79
IUPAC Name4-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-phenylpyrimidin-2-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-2-phenylpyrimidin-4-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-phenylpyrimidin-4-yl]benzonitrile
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4cc(-c5ccc(C#N)cc5)nc(-c5ccccc5)n4)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccc(C#N)cc6)n5)c4)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4cc(-c5ccc(C#N)cc5)nc(-c5ccccc5)n4)ccc32)c2ccccc21
InChIInChI=1S/C51H35N3.2C45H31N3/c1-50(2)41-21-8-10-23-43(41)51(44-24-11-9-22-42(44)50)40-20-7-6-18-39(40)48-38(19-13-25-45(48)51)36-16-12-17-37(30-36)47-31-46(34-14-4-3-5-15-34)53-49(54-47)35-28-26-33(32-52)27-29-35;1-44(2)35-18-8-10-20-37(35)45(38-21-11-9-19-36(38)44)34-17-7-6-15-32(34)42-33(16-12-22-39(42)45)41-27-40(30-25-23-29(28-46)24-26-30)47-43(48-41)31-13-4-3-5-14-31;1-44(2)37-16-8-10-18-39(37)45(40-19-11-9-17-38(40)44)35-15-7-6-14-33(35)34-26-32(24-25-36(34)45)42-27-41(30-22-20-29(28-46)21-23-30)47-43(48-42)31-12-4-3-5-13-31/h3-31H,1-2H3;2*3-27H,1-2H3
InChIKeyFJLNISGFMHLKFJ-UHFFFAOYSA-N
XLogP32.72
TPSA148.71 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001917.39
LogP ≤ 532.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-phenylpyrimidin-2-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-2-phenylpyrimidin-4-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-phenylpyrimidin-4-yl]benzonitrile with MolForge

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Related Compounds

2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 158046858
3-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-6-phenylpyrimidin-4-yl]benzonitrile;3-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-6-phenylpyrimidin-4-yl]benzonitrile;3-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-phenylpyrimidin-4-yl]benzonitrile;3-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 161251702
3-[3-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]benzonitrile
CID 166995915
7-[5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl]-9,9-dimethylfluorene-2-carbonitrile
CID 152784845
3-[3-[4-[2-(10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]benzonitrile
CID 166995533
4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-4-yl]benzonitrile
CID 155765165
3-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 153302526
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
6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-carbonitrile
CID 162776189
4-[3-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]benzonitrile
CID 155765185
4,6-diphenyl-2-[3-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 161181534
4-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine
CID 176795340

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-phenylpyrimidin-2-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-2-phenylpyrimidin-4-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-phenylpyrimidin-4-yl]benzonitrile?
The IUPAC name of 4-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-phenylpyrimidin-2-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-2-phenylpyrimidin-4-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-phenylpyrimidin-4-yl]benzonitrile (CID 158050796) is 4-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-phenylpyrimidin-2-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-2-phenylpyrimidin-4-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-phenylpyrimidin-4-yl]benzonitrile.
What is the SMILES notation for 4-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-phenylpyrimidin-2-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-2-phenylpyrimidin-4-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-phenylpyrimidin-4-yl]benzonitrile?
The canonical SMILES for 4-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-phenylpyrimidin-2-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-2-phenylpyrimidin-4-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-phenylpyrimidin-4-yl]benzonitrile is CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4cc(-c5ccc(C#N)cc5)nc(-c5ccccc5)n4)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccc(C#N)cc6)n5)c4)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4cc(-c5ccc(C#N)cc5)nc(-c5ccccc5)n4)ccc32)c2ccccc21.
What is the InChIKey of 4-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-phenylpyrimidin-2-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-2-phenylpyrimidin-4-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-phenylpyrimidin-4-yl]benzonitrile?
The InChIKey is FJLNISGFMHLKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3.2C45H31N3/c1-50(2)41-21-8-10-23-43(41)51(44-24-11-9-22-42(44)50)40-20-7-6-18-39(40)48-38(19-13-25-45(48)51)36-16-12-17-37(30-36)47-31-46(34-14-4-3-5-15-34)53-49(54-47)35-28-26-33(32-52)27-29-35;1-44(2)35-18-8-10-20-37(35)45(38-21-11-9-19-36(38)44)34-17-7-6-15-32(34)42-33(16-12-22-39(42)45)41-27-40(30-25-23-29(28-46)24-26-30)47-43(48-41)31-13-4-3-5-14-31;1-44(2)37-16-8-10-18-39(37)45(40-19-11-9-17-38(40)44)35-15-7-6-14-33(35)34-26-32(24-25-36(34)45)42-27-41(30-22-20-29(28-46)21-23-30)47-43(48-42)31-12-4-3-5-13-31/h3-31H,1-2H3;2*3-27H,1-2H3.
What are the key properties of 4-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-phenylpyrimidin-2-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-2-phenylpyrimidin-4-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-phenylpyrimidin-4-yl]benzonitrile?
4-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-phenylpyrimidin-2-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-2-phenylpyrimidin-4-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-phenylpyrimidin-4-yl]benzonitrile has a molecular weight of 1917.39 g/mol, XLogP of 32.72, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-phenylpyrimidin-2-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-2-phenylpyrimidin-4-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-phenylpyrimidin-4-yl]benzonitrile is sourced from PubChem (CID 158050796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).