4-dibenzothiophen-2-yl-2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-phenylpyrimidine

C51H34N2S — CID 168779895

IUPAC4-dibenzothiophen-2-yl-2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-phenylpyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccc6sc7ccccc7c6c5)n4)c4ccccc34)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C51H34N2S/c1-51(2)43-26-21-31-12-6-7-15-36(31)49(43)41-23-20-33(29-44(41)51)35-24-25-40(38-17-9-8-16-37(35)38)50-52-45(32-13-4-3-5-14-32)30-46(53-50)34-22-27-48-42(28-34)39-18-10-11-19-47(39)54-48/h3-30H,1-2H3
InChIKeyVBJOQARWJRSVTC-UHFFFAOYSA-N
MW706.91 g/mol
LogP14.13
Rot. Bonds4

About 4-dibenzothiophen-2-yl-2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-phenylpyrimidine

4-dibenzothiophen-2-yl-2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-phenylpyrimidine (PubChem CID 168779895) has the molecular formula C51H34N2S and a molecular weight of 706.91 g/mol. Its IUPAC name is 4-dibenzothiophen-2-yl-2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-phenylpyrimidine.

Molecular Properties

Compound Name4-dibenzothiophen-2-yl-2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-phenylpyrimidine
PubChem CID168779895
Molecular FormulaC51H34N2S
Molecular Weight706.91 g/mol
Exact Mass706.24
IUPAC Name4-dibenzothiophen-2-yl-2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-phenylpyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccc6sc7ccccc7c6c5)n4)c4ccccc34)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C51H34N2S/c1-51(2)43-26-21-31-12-6-7-15-36(31)49(43)41-23-20-33(29-44(41)51)35-24-25-40(38-17-9-8-16-37(35)38)50-52-45(32-13-4-3-5-14-32)30-46(53-50)34-22-27-48-42(28-34)39-18-10-11-19-47(39)54-48/h3-30H,1-2H3
InChIKeyVBJOQARWJRSVTC-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

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Related Compounds

2-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168777892
2-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 168779793
2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-(3,4-diphenylphenyl)-6-phenylpyrimidine
CID 168777844
2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(2-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 168776669
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-9-yl)naphthalen-1-yl]-4-phenyl-6-pyridin-3-ylpyrimidine
CID 168777020
2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine
CID 168779036
2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 168779175
4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 168777155
4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585529
4-dibenzothiophen-3-yl-2-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(4-phenylphenyl)pyrimidine
CID 168777570
4-[4-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 167344604

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-2-yl-2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-phenylpyrimidine?
The IUPAC name of 4-dibenzothiophen-2-yl-2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-phenylpyrimidine (CID 168779895) is 4-dibenzothiophen-2-yl-2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-phenylpyrimidine.
What is the SMILES notation for 4-dibenzothiophen-2-yl-2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-phenylpyrimidine?
The canonical SMILES for 4-dibenzothiophen-2-yl-2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-phenylpyrimidine is CC1(C)c2cc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccc6sc7ccccc7c6c5)n4)c4ccccc34)ccc2-c2c1ccc1ccccc21.
What is the InChIKey of 4-dibenzothiophen-2-yl-2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-phenylpyrimidine?
The InChIKey is VBJOQARWJRSVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2S/c1-51(2)43-26-21-31-12-6-7-15-36(31)49(43)41-23-20-33(29-44(41)51)35-24-25-40(38-17-9-8-16-37(35)38)50-52-45(32-13-4-3-5-14-32)30-46(53-50)34-22-27-48-42(28-34)39-18-10-11-19-47(39)54-48/h3-30H,1-2H3.
What are the key properties of 4-dibenzothiophen-2-yl-2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-phenylpyrimidine?
4-dibenzothiophen-2-yl-2-[4-(7,7-dimethylbenzo[g]fluoren-9-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-2-yl-2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-phenylpyrimidine is sourced from PubChem (CID 168779895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).