4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine

C56H42N2 — CID 168779800

IUPAC4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4ccc(-c5cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)nc(-c6ccccc6)n5)c5ccccc45)c3)ccc21
InChIInChI=1S/C56H42N2/c1-55(2)49-24-13-11-22-44(49)47-32-37(26-30-50(47)55)36-17-14-18-38(31-36)40-28-29-46(42-20-9-8-19-41(40)42)53-34-52(57-54(58-53)35-15-6-5-7-16-35)39-25-27-45-43-21-10-12-23-48(43)56(3,4)51(45)33-39/h5-34H,1-4H3
InChIKeyZAGDPOYCOFECEK-UHFFFAOYSA-N
MW742.97 g/mol
LogP14.58
Rot. Bonds5

About 4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine

4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine (PubChem CID 168779800) has the molecular formula C56H42N2 and a molecular weight of 742.97 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
PubChem CID168779800
Molecular FormulaC56H42N2
Molecular Weight742.97 g/mol
Exact Mass742.33
IUPAC Name4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4ccc(-c5cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)nc(-c6ccccc6)n5)c5ccccc45)c3)ccc21
InChIInChI=1S/C56H42N2/c1-55(2)49-24-13-11-22-44(49)47-32-37(26-30-50(47)55)36-17-14-18-38(31-36)40-28-29-46(42-20-9-8-19-41(40)42)53-34-52(57-54(58-53)35-15-6-5-7-16-35)39-25-27-45-43-21-10-12-23-48(43)56(3,4)51(45)33-39/h5-34H,1-4H3
InChIKeyZAGDPOYCOFECEK-UHFFFAOYSA-N
XLogP14.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.97
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-(3,4-diphenylphenyl)-2-phenylpyrimidine
CID 168778323
4-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168779261
4-[4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168776847
4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168779038
4-[4-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168776932
4-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168778428
4-[4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5-phenylphenyl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168779277
4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777678
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-(2,4-diphenylphenyl)-2-phenylpyrimidine
CID 168778711
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-6-(3,4-diphenylphenyl)-2-phenylpyrimidine
CID 168779151
2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154613773
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168778898

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine?
The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine (CID 168779800) is 4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine is CC1(C)c2ccccc2-c2cc(-c3cccc(-c4ccc(-c5cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)nc(-c6ccccc6)n5)c5ccccc45)c3)ccc21.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine?
The InChIKey is ZAGDPOYCOFECEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N2/c1-55(2)49-24-13-11-22-44(49)47-32-37(26-30-50(47)55)36-17-14-18-38(31-36)40-28-29-46(42-20-9-8-19-41(40)42)53-34-52(57-54(58-53)35-15-6-5-7-16-35)39-25-27-45-43-21-10-12-23-48(43)56(3,4)51(45)33-39/h5-34H,1-4H3.
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine?
4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine has a molecular weight of 742.97 g/mol, XLogP of 14.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine is sourced from PubChem (CID 168779800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).