2-dibenzofuran-4-yl-6-ethyl-5-(3-methylphenyl)sulfonyl-6H-phenanthridine

C34H27NO3S — CID 141090107

IUPAC2-dibenzofuran-4-yl-6-ethyl-5-(3-methylphenyl)sulfonyl-6H-phenanthridine
SMILESCCC1c2ccccc2-c2cc(-c3cccc4c3oc3ccccc34)ccc2N1S(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C34H27NO3S/c1-3-31-27-13-5-4-12-26(27)30-21-23(25-15-9-16-29-28-14-6-7-17-33(28)38-34(25)29)18-19-32(30)35(31)39(36,37)24-11-8-10-22(2)20-24/h4-21,31H,3H2,1-2H3
InChIKeyTVOMQBYHYWWVLO-UHFFFAOYSA-N
MW529.66 g/mol
LogP8.89
Rot. Bonds4

About 2-dibenzofuran-4-yl-6-ethyl-5-(3-methylphenyl)sulfonyl-6H-phenanthridine

2-dibenzofuran-4-yl-6-ethyl-5-(3-methylphenyl)sulfonyl-6H-phenanthridine (PubChem CID 141090107) has the molecular formula C34H27NO3S and a molecular weight of 529.66 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-6-ethyl-5-(3-methylphenyl)sulfonyl-6H-phenanthridine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-6-ethyl-5-(3-methylphenyl)sulfonyl-6H-phenanthridine
PubChem CID141090107
Molecular FormulaC34H27NO3S
Molecular Weight529.66 g/mol
Exact Mass529.17
IUPAC Name2-dibenzofuran-4-yl-6-ethyl-5-(3-methylphenyl)sulfonyl-6H-phenanthridine
SMILESCCC1c2ccccc2-c2cc(-c3cccc4c3oc3ccccc34)ccc2N1S(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C34H27NO3S/c1-3-31-27-13-5-4-12-26(27)30-21-23(25-15-9-16-29-28-14-6-7-17-33(28)38-34(25)29)18-19-32(30)35(31)39(36,37)24-11-8-10-22(2)20-24/h4-21,31H,3H2,1-2H3
InChIKeyTVOMQBYHYWWVLO-UHFFFAOYSA-N
XLogP8.89
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.66
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
2-[1-(benzenesulfonyl)-5-dibenzofuran-4-ylindol-3-yl]ethanamine
CID 70054414
4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran
CID 58991809
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran
CID 144568493
N-(4-dibenzofuran-4-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 58113345
2-methyl-6-(4-methylphenyl)dibenzofuran
CID 134235595
4-[4-(4-ethylnaphthalen-1-yl)phenyl]dibenzofuran
CID 129199601
(8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid
CID 168908514
(4-dibenzofuran-4-ylphenyl)methanamine
CID 67186774
3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one
CID 71260985
9-(4-dibenzofuran-4-ylphenyl)-3-methylcarbazole
CID 129128081

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-6-ethyl-5-(3-methylphenyl)sulfonyl-6H-phenanthridine?
The IUPAC name of 2-dibenzofuran-4-yl-6-ethyl-5-(3-methylphenyl)sulfonyl-6H-phenanthridine (CID 141090107) is 2-dibenzofuran-4-yl-6-ethyl-5-(3-methylphenyl)sulfonyl-6H-phenanthridine.
What is the SMILES notation for 2-dibenzofuran-4-yl-6-ethyl-5-(3-methylphenyl)sulfonyl-6H-phenanthridine?
The canonical SMILES for 2-dibenzofuran-4-yl-6-ethyl-5-(3-methylphenyl)sulfonyl-6H-phenanthridine is CCC1c2ccccc2-c2cc(-c3cccc4c3oc3ccccc34)ccc2N1S(=O)(=O)c1cccc(C)c1.
What is the InChIKey of 2-dibenzofuran-4-yl-6-ethyl-5-(3-methylphenyl)sulfonyl-6H-phenanthridine?
The InChIKey is TVOMQBYHYWWVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27NO3S/c1-3-31-27-13-5-4-12-26(27)30-21-23(25-15-9-16-29-28-14-6-7-17-33(28)38-34(25)29)18-19-32(30)35(31)39(36,37)24-11-8-10-22(2)20-24/h4-21,31H,3H2,1-2H3.
What are the key properties of 2-dibenzofuran-4-yl-6-ethyl-5-(3-methylphenyl)sulfonyl-6H-phenanthridine?
2-dibenzofuran-4-yl-6-ethyl-5-(3-methylphenyl)sulfonyl-6H-phenanthridine has a molecular weight of 529.66 g/mol, XLogP of 8.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-6-ethyl-5-(3-methylphenyl)sulfonyl-6H-phenanthridine is sourced from PubChem (CID 141090107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).