2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine

C50H36N2 — CID 146495529

IUPAC2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5-c5ccccc5)n4)cc32)c2ccccc21
InChIInChI=1S/C50H36N2/c1-49(2)41-25-13-15-27-43(41)50(44-28-16-14-26-42(44)49)40-24-12-11-22-37(40)38-30-29-35(31-45(38)50)48-51-46(34-19-7-4-8-20-34)32-47(52-48)39-23-10-9-21-36(39)33-17-5-3-6-18-33/h3-32H,1-2H3
InChIKeyLBKAJYKNJZVPDM-UHFFFAOYSA-N
MW664.85 g/mol
LogP12.15
Rot. Bonds4

About 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine

2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine (PubChem CID 146495529) has the molecular formula C50H36N2 and a molecular weight of 664.85 g/mol. Its IUPAC name is 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine
PubChem CID146495529
Molecular FormulaC50H36N2
Molecular Weight664.85 g/mol
Exact Mass664.29
IUPAC Name2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5-c5ccccc5)n4)cc32)c2ccccc21
InChIInChI=1S/C50H36N2/c1-49(2)41-25-13-15-27-43(41)50(44-28-16-14-26-42(44)49)40-24-12-11-22-37(40)38-30-29-35(31-45(38)50)48-51-46(34-19-7-4-8-20-34)32-47(52-48)39-23-10-9-21-36(39)33-17-5-3-6-18-33/h3-32H,1-2H3
InChIKeyLBKAJYKNJZVPDM-UHFFFAOYSA-N
XLogP12.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 166995660
2-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 146495558
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 153302504
4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 146495349
4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine;2,6-diphenyl-4-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-2-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 161455672
2-(3,5-diphenylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 153287843
4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 166995548
3-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile
CID 153302675
4-[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-2,6-diphenylpyrimidine;4,6-diphenyl-2-[2-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine
CID 161468641
4,6-bis(2-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylpyrimidine
CID 153288133
4-phenyl-2-[4-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]phenyl]phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 88557841
2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine
CID 153302578

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine?
The IUPAC name of 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine (CID 146495529) is 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine?
The canonical SMILES for 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine is CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5-c5ccccc5)n4)cc32)c2ccccc21.
What is the InChIKey of 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine?
The InChIKey is LBKAJYKNJZVPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2/c1-49(2)41-25-13-15-27-43(41)50(44-28-16-14-26-42(44)49)40-24-12-11-22-37(40)38-30-29-35(31-45(38)50)48-51-46(34-19-7-4-8-20-34)32-47(52-48)39-23-10-9-21-36(39)33-17-5-3-6-18-33/h3-32H,1-2H3.
What are the key properties of 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine?
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine has a molecular weight of 664.85 g/mol, XLogP of 12.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine is sourced from PubChem (CID 146495529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).