4-[2-(10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine

C56H40N2 — CID 166995660

IUPAC4-[2-(10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2cc(-c3ccccc3-c3cc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)ccc21
InChIInChI=1S/C56H40N2/c1-55(2)48-30-15-16-31-50(48)56(46-28-13-11-25-43(46)44-26-12-14-29-47(44)56)51-35-40(32-33-49(51)55)42-24-9-10-27-45(42)53-36-52(38-20-7-4-8-21-38)57-54(58-53)41-23-17-22-39(34-41)37-18-5-3-6-19-37/h3-36H,1-2H3
InChIKeyNLRPSONXNSBKAX-UHFFFAOYSA-N
MW740.95 g/mol
LogP13.81
Rot. Bonds5

About 4-[2-(10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine

4-[2-(10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine (PubChem CID 166995660) has the molecular formula C56H40N2 and a molecular weight of 740.95 g/mol. Its IUPAC name is 4-[2-(10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[2-(10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine
PubChem CID166995660
Molecular FormulaC56H40N2
Molecular Weight740.95 g/mol
Exact Mass740.32
IUPAC Name4-[2-(10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2cc(-c3ccccc3-c3cc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)ccc21
InChIInChI=1S/C56H40N2/c1-55(2)48-30-15-16-31-50(48)56(46-28-13-11-25-43(46)44-26-12-14-29-47(44)56)51-35-40(32-33-49(51)55)42-24-9-10-27-45(42)53-36-52(38-20-7-4-8-21-38)57-54(58-53)41-23-17-22-39(34-41)37-18-5-3-6-19-37/h3-36H,1-2H3
InChIKeyNLRPSONXNSBKAX-UHFFFAOYSA-N
XLogP13.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.95
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[4-[2-(10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]benzonitrile
CID 166995533
2-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 166996046
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 146495529
2-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 146495558
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-(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
4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-6-phenyl-2-triphenylen-2-ylpyrimidine
CID 146495333
2-[3-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166995942
2-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 167344461
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450777
CID 158278496
CID 158278496
CID 139521142
CID 139521142

Frequently Asked Questions

What is the IUPAC name of 4-[2-(10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine?
The IUPAC name of 4-[2-(10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine (CID 166995660) is 4-[2-(10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[2-(10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[2-(10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine is CC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2cc(-c3ccccc3-c3cc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)ccc21.
What is the InChIKey of 4-[2-(10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine?
The InChIKey is NLRPSONXNSBKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2/c1-55(2)48-30-15-16-31-50(48)56(46-28-13-11-25-43(46)44-26-12-14-29-47(44)56)51-35-40(32-33-49(51)55)42-24-9-10-27-45(42)53-36-52(38-20-7-4-8-21-38)57-54(58-53)41-23-17-22-39(34-41)37-18-5-3-6-19-37/h3-36H,1-2H3.
What are the key properties of 4-[2-(10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine?
4-[2-(10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine has a molecular weight of 740.95 g/mol, XLogP of 13.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 166995660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).