2-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine

C55H38N2 — CID 168776769

IUPAC2-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine
SMILESCC1(C)c2cccc(-c3ccc(-c4nc(-c5ccccc5-c5ccccc5)cc(-c5cccc6ccccc56)n4)c4ccccc34)c2-c2ccc3ccccc3c21
InChIInChI=1S/C55H38N2/c1-55(2)49-29-15-28-46(52(49)48-31-30-37-19-7-9-23-40(37)53(48)55)43-32-33-47(42-25-12-11-24-41(42)43)54-56-50(44-26-13-10-22-38(44)35-16-4-3-5-17-35)34-51(57-54)45-27-14-20-36-18-6-8-21-39(36)45/h3-34H,1-2H3
InChIKeyXKZATXYMBKSLLV-UHFFFAOYSA-N
MW726.92 g/mol
LogP14.58
Rot. Bonds5

About 2-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine

2-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine (PubChem CID 168776769) has the molecular formula C55H38N2 and a molecular weight of 726.92 g/mol. Its IUPAC name is 2-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine
PubChem CID168776769
Molecular FormulaC55H38N2
Molecular Weight726.92 g/mol
Exact Mass726.30
IUPAC Name2-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine
SMILESCC1(C)c2cccc(-c3ccc(-c4nc(-c5ccccc5-c5ccccc5)cc(-c5cccc6ccccc56)n4)c4ccccc34)c2-c2ccc3ccccc3c21
InChIInChI=1S/C55H38N2/c1-55(2)49-29-15-28-46(52(49)48-31-30-37-19-7-9-23-40(37)53(48)55)43-32-33-47(42-25-12-11-24-41(42)43)54-56-50(44-26-13-10-22-38(44)35-16-4-3-5-17-35)34-51(57-54)45-27-14-20-36-18-6-8-21-39(36)45/h3-34H,1-2H3
InChIKeyXKZATXYMBKSLLV-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

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Related Compounds

4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
CID 168777069
4-[4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168777372
8-[6-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]quinoline
CID 168776683
2-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168777873
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 168779572
2-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 168777408
4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine
CID 168778339
2-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-ylpyrimidine
CID 176794525
4-[2-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 176794007
4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-(2-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168779226
4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
CID 168777291
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168779603

Frequently Asked Questions

What is the IUPAC name of 2-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine?
The IUPAC name of 2-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine (CID 168776769) is 2-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine?
The canonical SMILES for 2-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine is CC1(C)c2cccc(-c3ccc(-c4nc(-c5ccccc5-c5ccccc5)cc(-c5cccc6ccccc56)n4)c4ccccc34)c2-c2ccc3ccccc3c21.
What is the InChIKey of 2-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine?
The InChIKey is XKZATXYMBKSLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2/c1-55(2)49-29-15-28-46(52(49)48-31-30-37-19-7-9-23-40(37)53(48)55)43-32-33-47(42-25-12-11-24-41(42)43)54-56-50(44-26-13-10-22-38(44)35-16-4-3-5-17-35)34-51(57-54)45-27-14-20-36-18-6-8-21-39(36)45/h3-34H,1-2H3.
What are the key properties of 2-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine?
2-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine 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 2-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine is sourced from PubChem (CID 168776769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).