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

C51H34N2S — CID 168779468

IUPAC4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-2-phenylpyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4cc(-c5cccc6sc7ccccc7c56)nc(-c5ccccc5)n4)c4ccccc34)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C51H34N2S/c1-51(2)42-28-24-31-13-6-7-16-35(31)48(42)39-25-23-33(29-43(39)51)34-26-27-38(37-18-9-8-17-36(34)37)44-30-45(53-50(52-44)32-14-4-3-5-15-32)40-20-12-22-47-49(40)41-19-10-11-21-46(41)54-47/h3-30H,1-2H3
InChIKeyLMVFBKPYBAJNGF-UHFFFAOYSA-N
MW706.91 g/mol
LogP14.13
Rot. Bonds4

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

4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-2-phenylpyrimidine (PubChem CID 168779468) 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-9-yl)naphthalen-1-yl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-2-phenylpyrimidine
PubChem CID168779468
Molecular FormulaC51H34N2S
Molecular Weight706.91 g/mol
Exact Mass706.24
IUPAC Name4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-2-phenylpyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4cc(-c5cccc6sc7ccccc7c56)nc(-c5ccccc5)n4)c4ccccc34)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C51H34N2S/c1-51(2)42-28-24-31-13-6-7-16-35(31)48(42)39-25-23-33(29-43(39)51)34-26-27-38(37-18-9-8-17-36(34)37)44-30-45(53-50(52-44)32-14-4-3-5-15-32)40-20-12-22-47-49(40)41-19-10-11-21-46(41)54-47/h3-30H,1-2H3
InChIKeyLMVFBKPYBAJNGF-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

4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168778055
4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 168777155
4-dibenzothiophen-1-yl-6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidine
CID 176794001
4-dibenzothiophen-2-yl-2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-phenylpyrimidine
CID 168779895
4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 168777005
4-dibenzothiophen-1-yl-6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 176794688
4-dibenzothiophen-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-6-phenylpyrimidine
CID 168779575
2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine
CID 130355546
4-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168777302
4-[4-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 167344604
4-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168779685
4-[4-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168778143

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-2-phenylpyrimidine?
The IUPAC name of 4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-2-phenylpyrimidine (CID 168779468) is 4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-2-phenylpyrimidine.
What is the SMILES notation for 4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-2-phenylpyrimidine?
The canonical SMILES for 4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-2-phenylpyrimidine is CC1(C)c2cc(-c3ccc(-c4cc(-c5cccc6sc7ccccc7c56)nc(-c5ccccc5)n4)c4ccccc34)ccc2-c2c1ccc1ccccc21.
What is the InChIKey of 4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-2-phenylpyrimidine?
The InChIKey is LMVFBKPYBAJNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2S/c1-51(2)42-28-24-31-13-6-7-16-35(31)48(42)39-25-23-33(29-43(39)51)34-26-27-38(37-18-9-8-17-36(34)37)44-30-45(53-50(52-44)32-14-4-3-5-15-32)40-20-12-22-47-49(40)41-19-10-11-21-46(41)54-47/h3-30H,1-2H3.
What are the key properties of 4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-2-phenylpyrimidine?
4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-9-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-9-yl)naphthalen-1-yl]-2-phenylpyrimidine is sourced from PubChem (CID 168779468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).