4-dibenzothiophen-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-6-phenylpyrimidine

C51H34N2S — CID 168779575

IUPAC4-dibenzothiophen-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-6-phenylpyrimidine
SMILESCC1(C)c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5cccc6sc7ccccc7c56)n4)c4ccccc34)cc2-c2ccc3ccccc3c21
InChIInChI=1S/C51H34N2S/c1-51(2)43-28-24-33(29-42(43)38-25-23-31-13-6-7-16-35(31)49(38)51)34-26-27-39(37-18-9-8-17-36(34)37)50-52-44(32-14-4-3-5-15-32)30-45(53-50)40-20-12-22-47-48(40)41-19-10-11-21-46(41)54-47/h3-30H,1-2H3
InChIKeyAHYABUDYFBLUEB-UHFFFAOYSA-N
MW706.91 g/mol
LogP14.13
Rot. Bonds4

About 4-dibenzothiophen-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-6-phenylpyrimidine

4-dibenzothiophen-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-6-phenylpyrimidine (PubChem CID 168779575) has the molecular formula C51H34N2S and a molecular weight of 706.91 g/mol. Its IUPAC name is 4-dibenzothiophen-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-6-phenylpyrimidine.

Molecular Properties

Compound Name4-dibenzothiophen-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-6-phenylpyrimidine
PubChem CID168779575
Molecular FormulaC51H34N2S
Molecular Weight706.91 g/mol
Exact Mass706.24
IUPAC Name4-dibenzothiophen-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-6-phenylpyrimidine
SMILESCC1(C)c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5cccc6sc7ccccc7c56)n4)c4ccccc34)cc2-c2ccc3ccccc3c21
InChIInChI=1S/C51H34N2S/c1-51(2)43-28-24-33(29-42(43)38-25-23-31-13-6-7-16-35(31)49(38)51)34-26-27-39(37-18-9-8-17-36(34)37)50-52-44(32-14-4-3-5-15-32)30-45(53-50)40-20-12-22-47-48(40)41-19-10-11-21-46(41)54-47/h3-30H,1-2H3
InChIKeyAHYABUDYFBLUEB-UHFFFAOYSA-N
XLogP14.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.91
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-dibenzothiophen-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-6-phenylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidine
CID 168777752
2-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168779094
4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168779468
2-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-4-(2-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 168779770
4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168778055
4-dibenzothiophen-3-yl-2-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(4-phenylphenyl)pyrimidine
CID 168777570
2-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-4-phenanthren-9-yl-6-phenylpyrimidine
CID 168779719
4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168776957
2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 168779175
15,15-dimethyl-19-[4-(5-naphthalen-1-ylbenzo[10]annulen-12-yl)phenyl]-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene
CID 130212226
4-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168776871
2-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-1-yl]-4,6-diphenylpyrimidine
CID 118507917

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-6-phenylpyrimidine?
The IUPAC name of 4-dibenzothiophen-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-6-phenylpyrimidine (CID 168779575) is 4-dibenzothiophen-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-6-phenylpyrimidine.
What is the SMILES notation for 4-dibenzothiophen-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-6-phenylpyrimidine?
The canonical SMILES for 4-dibenzothiophen-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-6-phenylpyrimidine is CC1(C)c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5cccc6sc7ccccc7c56)n4)c4ccccc34)cc2-c2ccc3ccccc3c21.
What is the InChIKey of 4-dibenzothiophen-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-6-phenylpyrimidine?
The InChIKey is AHYABUDYFBLUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2S/c1-51(2)43-28-24-33(29-42(43)38-25-23-31-13-6-7-16-35(31)49(38)51)34-26-27-39(37-18-9-8-17-36(34)37)50-52-44(32-14-4-3-5-15-32)30-45(53-50)40-20-12-22-47-48(40)41-19-10-11-21-46(41)54-47/h3-30H,1-2H3.
What are the key properties of 4-dibenzothiophen-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-6-phenylpyrimidine?
4-dibenzothiophen-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-6-phenylpyrimidine has a molecular weight of 706.91 g/mol, XLogP of 14.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-6-phenylpyrimidine is sourced from PubChem (CID 168779575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).