4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine

C50H36N2 — CID 166995548

IUPAC4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2cccc(-c3cc(-c4ccccc4-c4ccccc4)nc(-c4ccccc4)n3)c21
InChIInChI=1S/C50H36N2/c1-49(2)42-29-15-16-30-43(42)50(40-27-13-11-23-36(40)37-24-12-14-28-41(37)50)44-31-17-26-39(47(44)49)46-32-45(51-48(52-46)34-20-7-4-8-21-34)38-25-10-9-22-35(38)33-18-5-3-6-19-33/h3-32H,1-2H3
InChIKeyVYCUQVXJLNWFED-UHFFFAOYSA-N
MW664.85 g/mol
LogP12.15
Rot. Bonds4

About 4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine

4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine (PubChem CID 166995548) has the molecular formula C50H36N2 and a molecular weight of 664.85 g/mol. Its IUPAC name is 4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine
PubChem CID166995548
Molecular FormulaC50H36N2
Molecular Weight664.85 g/mol
Exact Mass664.29
IUPAC Name4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2cccc(-c3cc(-c4ccccc4-c4ccccc4)nc(-c4ccccc4)n3)c21
InChIInChI=1S/C50H36N2/c1-49(2)42-29-15-16-30-43(42)50(40-27-13-11-23-36(40)37-24-12-14-28-41(37)50)44-31-17-26-39(47(44)49)46-32-45(51-48(52-46)34-20-7-4-8-21-34)38-25-10-9-22-35(38)33-18-5-3-6-19-33/h3-32H,1-2H3
InChIKeyVYCUQVXJLNWFED-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

2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 146495529
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-phenyl-4-(2-phenylphenyl)-6-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 153287659
4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 146495349
4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidine
CID 146495309
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-chloro-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine
CID 171584779
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146495829
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 153302504
2,4-bis(4-phenylphenyl)-6-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;4-(2-phenylphenyl)-2-(4-phenylphenyl)-6-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;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-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 159340266
2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388570

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine?
The IUPAC name of 4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine (CID 166995548) is 4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine?
The canonical SMILES for 4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine is CC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2cccc(-c3cc(-c4ccccc4-c4ccccc4)nc(-c4ccccc4)n3)c21.
What is the InChIKey of 4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine?
The InChIKey is VYCUQVXJLNWFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2/c1-49(2)42-29-15-16-30-43(42)50(40-27-13-11-23-36(40)37-24-12-14-28-41(37)50)44-31-17-26-39(47(44)49)46-32-45(51-48(52-46)34-20-7-4-8-21-34)38-25-10-9-22-35(38)33-18-5-3-6-19-33/h3-32H,1-2H3.
What are the key properties of 4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine?
4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)-2-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 4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine is sourced from PubChem (CID 166995548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).