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

C162H116N6 — CID 158046858

IUPAC2-[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
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)cc4)ccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(-c5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4)cc32)c2ccccc21
InChIInChI=1S/2C56H40N2.C50H36N2/c1-55(2)47-24-11-13-26-49(47)56(50-27-14-12-25-48(50)55)46-23-10-9-22-44(46)45-33-32-42(35-51(45)56)38-30-28-37(29-31-38)41-20-15-21-43(34-41)53-36-52(39-16-5-3-6-17-39)57-54(58-53)40-18-7-4-8-19-40;1-55(2)48-21-11-13-23-50(48)56(51-24-14-12-22-49(51)55)46-20-10-9-19-44(46)45-35-43(33-34-47(45)56)39-27-25-37(26-28-39)38-29-31-42(32-30-38)54-57-52(40-15-5-3-6-16-40)36-53(58-54)41-17-7-4-8-18-41;1-49(2)40-23-11-13-25-42(40)50(43-26-14-12-24-41(43)49)39-22-10-9-20-38(39)47-37(21-15-27-44(47)50)33-28-30-36(31-29-33)48-51-45(34-16-5-3-6-17-34)32-46(52-48)35-18-7-4-8-19-35/h2*3-36H,1-2H3;3-32H,1-2H3
InChIKeyFJAFTZSSYPJHEU-UHFFFAOYSA-N
MW2146.75 g/mol
LogP39.78
Rot. Bonds14

About 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

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 (PubChem CID 158046858) has the molecular formula C162H116N6 and a molecular weight of 2146.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158046858
Molecular FormulaC162H116N6
Molecular Weight2146.75 g/mol
Exact Mass2144.93
IUPAC Name2-[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
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)cc4)ccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(-c5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4)cc32)c2ccccc21
InChIInChI=1S/2C56H40N2.C50H36N2/c1-55(2)47-24-11-13-26-49(47)56(50-27-14-12-25-48(50)55)46-23-10-9-22-44(46)45-33-32-42(35-51(45)56)38-30-28-37(29-31-38)41-20-15-21-43(34-41)53-36-52(39-16-5-3-6-17-39)57-54(58-53)40-18-7-4-8-19-40;1-55(2)48-21-11-13-23-50(48)56(51-24-14-12-22-49(51)55)46-20-10-9-19-44(46)45-35-43(33-34-47(45)56)39-27-25-37(26-28-39)38-29-31-42(32-30-38)54-57-52(40-15-5-3-6-16-40)36-53(58-54)41-17-7-4-8-18-41;1-49(2)40-23-11-13-25-42(40)50(43-26-14-12-24-41(43)49)39-22-10-9-20-38(39)47-37(21-15-27-44(47)50)33-28-30-36(31-29-33)48-51-45(34-16-5-3-6-17-34)32-46(52-48)35-18-7-4-8-19-35/h2*3-36H,1-2H3;3-32H,1-2H3
InChIKeyFJAFTZSSYPJHEU-UHFFFAOYSA-N
XLogP39.78
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002146.75
LogP ≤ 539.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine
CID 134272127
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
2-[9,9-dimethyl-6'-[3-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyrimidine
CID 142480360
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine
CID 134272112
2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)phenyl]pyrimidine
CID 158184457
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
4-(3-phenylphenyl)-6-(4-phenylphenyl)-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 90059569
2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450705
2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158250945
4-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine
CID 176795340
4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine
CID 167344509
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 161349132

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)cc4)ccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(-c5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4)cc32)c2ccccc21.
What is the InChIKey of 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?
The InChIKey is FJAFTZSSYPJHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H40N2.C50H36N2/c1-55(2)47-24-11-13-26-49(47)56(50-27-14-12-25-48(50)55)46-23-10-9-22-44(46)45-33-32-42(35-51(45)56)38-30-28-37(29-31-38)41-20-15-21-43(34-41)53-36-52(39-16-5-3-6-17-39)57-54(58-53)40-18-7-4-8-19-40;1-55(2)48-21-11-13-23-50(48)56(51-24-14-12-22-49(51)55)46-20-10-9-19-44(46)45-35-43(33-34-47(45)56)39-27-25-37(26-28-39)38-29-31-42(32-30-38)54-57-52(40-15-5-3-6-16-40)36-53(58-54)41-17-7-4-8-18-41;1-49(2)40-23-11-13-25-42(40)50(43-26-14-12-24-41(43)49)39-22-10-9-20-38(39)47-37(21-15-27-44(47)50)33-28-30-36(31-29-33)48-51-45(34-16-5-3-6-17-34)32-46(52-48)35-18-7-4-8-19-35/h2*3-36H,1-2H3;3-32H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2146.75 g/mol, XLogP of 39.78, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158046858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).