4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine

C48H30N2S — CID 176632658

IUPAC4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5sc6ccccc6c45)c4ccccc34)cc(-c3cccc4cccc(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C48H30N2S/c1-3-14-31(15-4-1)34-23-11-18-32-19-12-25-40(46(32)34)43-30-42(49-48(50-43)33-16-5-2-6-17-33)38-29-28-37(35-20-7-8-21-36(35)38)39-24-13-27-45-47(39)41-22-9-10-26-44(41)51-45/h1-30H
InChIKeyMSGWEDKRKZJRLD-UHFFFAOYSA-N
MW666.85 g/mol
LogP13.49
Rot. Bonds5

About 4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine

4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine (PubChem CID 176632658) has the molecular formula C48H30N2S and a molecular weight of 666.85 g/mol. Its IUPAC name is 4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine
PubChem CID176632658
Molecular FormulaC48H30N2S
Molecular Weight666.85 g/mol
Exact Mass666.21
IUPAC Name4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5sc6ccccc6c45)c4ccccc34)cc(-c3cccc4cccc(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C48H30N2S/c1-3-14-31(15-4-1)34-23-11-18-32-19-12-25-40(46(32)34)43-30-42(49-48(50-43)33-16-5-2-6-17-33)38-29-28-37(35-20-7-8-21-36(35)38)39-24-13-27-45-47(39)41-22-9-10-26-44(41)51-45/h1-30H
InChIKeyMSGWEDKRKZJRLD-UHFFFAOYSA-N
XLogP13.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.85
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine 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-diphenyl-6-[4-[2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidin-4-yl]naphthalen-1-yl]-1,3,5-triazine
CID 176632630
4,6-bis(3-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine
CID 139304929
2,4-bis(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 139304432
2-[4-[4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942599
4-(4-dibenzothiophen-1-ylphenyl)-6-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-2-phenylpyrimidine
CID 167410446
4-dibenzothiophen-1-yl-6-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-2-(4-phenylphenyl)pyrimidine
CID 167411697
4-dibenzothiophen-1-yl-6-(3-fluoranthen-3-yl-5-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 130355621
4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 176632160
4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 176632515
2-(8-dibenzothiophen-1-ylnaphthalen-1-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 166933840
4-(3-dibenzothiophen-1-ylphenyl)-6-(3-dibenzothiophen-1-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583431
4-dibenzothiophen-1-yl-6-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]phenyl]-2-phenylpyrimidine
CID 167410843

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine?
The IUPAC name of 4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine (CID 176632658) is 4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine.
What is the SMILES notation for 4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine?
The canonical SMILES for 4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine is c1ccc(-c2nc(-c3ccc(-c4cccc5sc6ccccc6c45)c4ccccc34)cc(-c3cccc4cccc(-c5ccccc5)c34)n2)cc1.
What is the InChIKey of 4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine?
The InChIKey is MSGWEDKRKZJRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S/c1-3-14-31(15-4-1)34-23-11-18-32-19-12-25-40(46(32)34)43-30-42(49-48(50-43)33-16-5-2-6-17-33)38-29-28-37(35-20-7-8-21-36(35)38)39-24-13-27-45-47(39)41-22-9-10-26-44(41)51-45/h1-30H.
What are the key properties of 4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine?
4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine has a molecular weight of 666.85 g/mol, XLogP of 13.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine is sourced from PubChem (CID 176632658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).