2-methylsulfonyl-7-phenylmethoxy-9H-carbazole;triethyl phosphite

C26H32NO6PS — CID 70036637

IUPAC2-methylsulfonyl-7-phenylmethoxy-9H-carbazole;triethyl phosphite
SMILESCCOP(OCC)OCC.CS(=O)(=O)c1ccc2c(c1)[nH]c1cc(OCc3ccccc3)ccc12
InChIInChI=1S/C20H17NO3S.C6H15O3P/c1-25(22,23)16-8-10-18-17-9-7-15(11-19(17)21-20(18)12-16)24-13-14-5-3-2-4-6-14;1-4-7-10(8-5-2)9-6-3/h2-12,21H,13H2,1H3;4-6H2,1-3H3
InChIKeyXQYSCXHSZMKPJH-UHFFFAOYSA-N
MW517.58 g/mol
LogP6.63
Rot. Bonds10

About 2-methylsulfonyl-7-phenylmethoxy-9H-carbazole;triethyl phosphite

2-methylsulfonyl-7-phenylmethoxy-9H-carbazole;triethyl phosphite (PubChem CID 70036637) has the molecular formula C26H32NO6PS and a molecular weight of 517.58 g/mol. Its IUPAC name is 2-methylsulfonyl-7-phenylmethoxy-9H-carbazole;triethyl phosphite.

Molecular Properties

Compound Name2-methylsulfonyl-7-phenylmethoxy-9H-carbazole;triethyl phosphite
PubChem CID70036637
Molecular FormulaC26H32NO6PS
Molecular Weight517.58 g/mol
Exact Mass517.17
IUPAC Name2-methylsulfonyl-7-phenylmethoxy-9H-carbazole;triethyl phosphite
SMILESCCOP(OCC)OCC.CS(=O)(=O)c1ccc2c(c1)[nH]c1cc(OCc3ccccc3)ccc12
InChIInChI=1S/C20H17NO3S.C6H15O3P/c1-25(22,23)16-8-10-18-17-9-7-15(11-19(17)21-20(18)12-16)24-13-14-5-3-2-4-6-14;1-4-7-10(8-5-2)9-6-3/h2-12,21H,13H2,1H3;4-6H2,1-3H3
InChIKeyXQYSCXHSZMKPJH-UHFFFAOYSA-N
XLogP6.63
TPSA86.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.58
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-3-octoxy-7-phenylmethoxy-1H-quinolin-2-one
CID 139718526
3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one
CID 139717983
3-[(4-methylphenyl)sulfonylmethyl]-6-phenylmethoxy-1H-indole
CID 146164618
4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenol
CID 170775302
1,3-bis[[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]methyl]benzene
CID 139826967
3-[[benzyl(ethyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one
CID 2240333
(4-methoxy-2-oxo-7-phenylmethoxy-1H-quinolin-3-yl) acetate
CID 139716952
1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one
CID 143156217
ethyl 4-methyl-6-phenylmethoxy-1H-indole-2-carboxylate
CID 22720009
3-[[butyl(methyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one
CID 2240325
4-phenylmethoxybenzenesulfonic acid;hydrochloride
CID 174829629
N-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 9137878

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-7-phenylmethoxy-9H-carbazole;triethyl phosphite?
The IUPAC name of 2-methylsulfonyl-7-phenylmethoxy-9H-carbazole;triethyl phosphite (CID 70036637) is 2-methylsulfonyl-7-phenylmethoxy-9H-carbazole;triethyl phosphite.
What is the SMILES notation for 2-methylsulfonyl-7-phenylmethoxy-9H-carbazole;triethyl phosphite?
The canonical SMILES for 2-methylsulfonyl-7-phenylmethoxy-9H-carbazole;triethyl phosphite is CCOP(OCC)OCC.CS(=O)(=O)c1ccc2c(c1)[nH]c1cc(OCc3ccccc3)ccc12.
What is the InChIKey of 2-methylsulfonyl-7-phenylmethoxy-9H-carbazole;triethyl phosphite?
The InChIKey is XQYSCXHSZMKPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S.C6H15O3P/c1-25(22,23)16-8-10-18-17-9-7-15(11-19(17)21-20(18)12-16)24-13-14-5-3-2-4-6-14;1-4-7-10(8-5-2)9-6-3/h2-12,21H,13H2,1H3;4-6H2,1-3H3.
What are the key properties of 2-methylsulfonyl-7-phenylmethoxy-9H-carbazole;triethyl phosphite?
2-methylsulfonyl-7-phenylmethoxy-9H-carbazole;triethyl phosphite has a molecular weight of 517.58 g/mol, XLogP of 6.63, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-7-phenylmethoxy-9H-carbazole;triethyl phosphite is sourced from PubChem (CID 70036637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).