4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-2-phenylpyrimidine

C51H34N2S — CID 168778055

IUPAC4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-2-phenylpyrimidine
SMILESCC1(C)c2ccc3ccccc3c2-c2cccc(-c3ccc(-c4cc(-c5cccc6sc7ccccc7c56)nc(-c5ccccc5)n4)c4ccccc34)c21
InChIInChI=1S/C51H34N2S/c1-51(2)42-29-26-31-14-6-7-17-33(31)47(42)41-23-12-21-38(49(41)51)36-27-28-37(35-19-9-8-18-34(35)36)43-30-44(53-50(52-43)32-15-4-3-5-16-32)39-22-13-25-46-48(39)40-20-10-11-24-45(40)54-46/h3-30H,1-2H3
InChIKeyTVNNKAWHBKJOEN-UHFFFAOYSA-N
MW706.91 g/mol
LogP14.13
Rot. Bonds4

About 4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-2-phenylpyrimidine

4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-2-phenylpyrimidine (PubChem CID 168778055) has the molecular formula C51H34N2S and a molecular weight of 706.91 g/mol. Its IUPAC name is 4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-2-phenylpyrimidine
PubChem CID168778055
Molecular FormulaC51H34N2S
Molecular Weight706.91 g/mol
Exact Mass706.24
IUPAC Name4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-2-phenylpyrimidine
SMILESCC1(C)c2ccc3ccccc3c2-c2cccc(-c3ccc(-c4cc(-c5cccc6sc7ccccc7c56)nc(-c5ccccc5)n4)c4ccccc34)c21
InChIInChI=1S/C51H34N2S/c1-51(2)42-29-26-31-14-6-7-17-33(31)47(42)41-23-12-21-38(49(41)51)36-27-28-37(35-19-9-8-18-34(35)36)43-30-44(53-50(52-43)32-15-4-3-5-16-32)39-22-13-25-46-48(39)40-20-10-11-24-45(40)54-46/h3-30H,1-2H3
InChIKeyTVNNKAWHBKJOEN-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-6-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-2-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

4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168779468
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-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine
CID 168779125
4-dibenzothiophen-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-6-phenylpyrimidine
CID 168779575
4-dibenzothiophen-1-yl-6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidine
CID 176794001
4-dibenzothiophen-3-yl-6-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168779024
4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine
CID 176632658
14,14-dimethyl-16-(6-phenylpyren-1-yl)-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169035215
4-dibenzothiophen-1-yl-6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 176794688
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168779603
4-[4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168777372
2-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168777873

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-2-phenylpyrimidine?
The IUPAC name of 4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-2-phenylpyrimidine (CID 168778055) is 4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-2-phenylpyrimidine.
What is the SMILES notation for 4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-2-phenylpyrimidine?
The canonical SMILES for 4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-2-phenylpyrimidine is CC1(C)c2ccc3ccccc3c2-c2cccc(-c3ccc(-c4cc(-c5cccc6sc7ccccc7c56)nc(-c5ccccc5)n4)c4ccccc34)c21.
What is the InChIKey of 4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-2-phenylpyrimidine?
The InChIKey is TVNNKAWHBKJOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2S/c1-51(2)42-29-26-31-14-6-7-17-33(31)47(42)41-23-12-21-38(49(41)51)36-27-28-37(35-19-9-8-18-34(35)36)43-30-44(53-50(52-43)32-15-4-3-5-16-32)39-22-13-25-46-48(39)40-20-10-11-24-45(40)54-46/h3-30H,1-2H3.
What are the key properties of 4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-2-phenylpyrimidine?
4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-2-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-6-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-2-phenylpyrimidine is sourced from PubChem (CID 168778055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).