4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-(2-naphthalen-1-ylphenyl)-2-phenylpyrimidine

C55H38N2 — CID 168779226

IUPAC4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-(2-naphthalen-1-ylphenyl)-2-phenylpyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4cc(-c5ccccc5-c5cccc6ccccc56)nc(-c5ccccc5)n4)c4ccccc34)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C55H38N2/c1-55(2)50-33-38(28-29-46(50)49-30-27-36-16-7-9-21-41(36)53(49)55)40-31-32-48(45-24-11-10-22-42(40)45)52-34-51(56-54(57-52)37-17-4-3-5-18-37)47-25-13-12-23-44(47)43-26-14-19-35-15-6-8-20-39(35)43/h3-34H,1-2H3
InChIKeyKWVGMYYSYBNWAJ-UHFFFAOYSA-N
MW726.92 g/mol
LogP14.58
Rot. Bonds5

About 4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-(2-naphthalen-1-ylphenyl)-2-phenylpyrimidine

4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-(2-naphthalen-1-ylphenyl)-2-phenylpyrimidine (PubChem CID 168779226) has the molecular formula C55H38N2 and a molecular weight of 726.92 g/mol. Its IUPAC name is 4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-(2-naphthalen-1-ylphenyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-(2-naphthalen-1-ylphenyl)-2-phenylpyrimidine
PubChem CID168779226
Molecular FormulaC55H38N2
Molecular Weight726.92 g/mol
Exact Mass726.30
IUPAC Name4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-(2-naphthalen-1-ylphenyl)-2-phenylpyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4cc(-c5ccccc5-c5cccc6ccccc56)nc(-c5ccccc5)n4)c4ccccc34)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C55H38N2/c1-55(2)50-33-38(28-29-46(50)49-30-27-36-16-7-9-21-41(36)53(49)55)40-31-32-48(45-24-11-10-22-42(40)45)52-34-51(56-54(57-52)37-17-4-3-5-18-37)47-25-13-12-23-44(47)43-26-14-19-35-15-6-8-20-39(35)43/h3-34H,1-2H3
InChIKeyKWVGMYYSYBNWAJ-UHFFFAOYSA-N
XLogP14.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.92
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-(2-naphthalen-1-ylphenyl)-2-phenylpyrimidine with MolForge

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Related Compounds

4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine
CID 168779418
4-[4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168779475
4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168776957
4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine
CID 168778841
4-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(2-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777562
4-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777667
4-(11,11-dimethylbenzo[a]fluoren-9-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 146632846
2-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168779094
2-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-4-(2-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 168779770
4-[4-[3-(11,11-dimethylbenzo[a]fluoren-10-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168776629
4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168780089
2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
CID 155465661

Frequently Asked Questions

What is the IUPAC name of 4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-(2-naphthalen-1-ylphenyl)-2-phenylpyrimidine?
The IUPAC name of 4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-(2-naphthalen-1-ylphenyl)-2-phenylpyrimidine (CID 168779226) is 4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-(2-naphthalen-1-ylphenyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-(2-naphthalen-1-ylphenyl)-2-phenylpyrimidine?
The canonical SMILES for 4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-(2-naphthalen-1-ylphenyl)-2-phenylpyrimidine is CC1(C)c2cc(-c3ccc(-c4cc(-c5ccccc5-c5cccc6ccccc56)nc(-c5ccccc5)n4)c4ccccc34)ccc2-c2ccc3ccccc3c21.
What is the InChIKey of 4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-(2-naphthalen-1-ylphenyl)-2-phenylpyrimidine?
The InChIKey is KWVGMYYSYBNWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2/c1-55(2)50-33-38(28-29-46(50)49-30-27-36-16-7-9-21-41(36)53(49)55)40-31-32-48(45-24-11-10-22-42(40)45)52-34-51(56-54(57-52)37-17-4-3-5-18-37)47-25-13-12-23-44(47)43-26-14-19-35-15-6-8-20-39(35)43/h3-34H,1-2H3.
What are the key properties of 4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-(2-naphthalen-1-ylphenyl)-2-phenylpyrimidine?
4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-(2-naphthalen-1-ylphenyl)-2-phenylpyrimidine has a molecular weight of 726.92 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-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-(2-naphthalen-1-ylphenyl)-2-phenylpyrimidine is sourced from PubChem (CID 168779226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).