anisole;tetrakis(2-(benzenesulfonyl)-1,4-dimethylbenzene);tetrakis((2,5-dimethylphenyl)-phenylmethanone);ethane;naphthalene;toluene

C223H242O24S4 — CID 162182553

IUPACanisole;tetrakis(2-(benzenesulfonyl)-1,4-dimethylbenzene);tetrakis((2,5-dimethylphenyl)-phenylmethanone);ethane;naphthalene;toluene
SMILESCC.CC.CC.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.Cc1ccc(C)c(C(=O)c2ccccc2)c1.Cc1ccc(C)c(C(=O)c2ccccc2)c1.Cc1ccc(C)c(C(=O)c2ccccc2)c1.Cc1ccc(C)c(C(=O)c2ccccc2)c1.Cc1ccc(C)c(S(=O)(=O)c2ccccc2)c1.Cc1ccc(C)c(S(=O)(=O)c2ccccc2)c1.Cc1ccc(C)c(S(=O)(=O)c2ccccc2)c1.Cc1ccc(C)c(S(=O)(=O)c2ccccc2)c1.Cc1ccccc1.c1ccc2ccccc2c1
InChIInChI=1S/4C15H14O.4C14H14O2S.C10H8.12C7H8O.C7H8.3C2H6/c4*1-11-8-9-12(2)14(10-11)15(16)13-6-4-3-5-7-13;4*1-11-8-9-12(2)14(10-11)17(15,16)13-6-4-3-5-7-13;1-2-6-10-8-4-3-7-9(10)5-1;12*1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;3*1-2/h4*3-10H,1-2H3;4*3-10H,1-2H3;1-8H;12*2-6H,1H3;2-6H,1H3;3*1-2H3
InChIKeyZPFPOEVIQLIPEW-UHFFFAOYSA-N
MW3434.63 g/mol
LogP54.94
Rot. Bonds28

About anisole;tetrakis(2-(benzenesulfonyl)-1,4-dimethylbenzene);tetrakis((2,5-dimethylphenyl)-phenylmethanone);ethane;naphthalene;toluene

anisole;tetrakis(2-(benzenesulfonyl)-1,4-dimethylbenzene);tetrakis((2,5-dimethylphenyl)-phenylmethanone);ethane;naphthalene;toluene (PubChem CID 162182553) has the molecular formula C223H242O24S4 and a molecular weight of 3434.63 g/mol. Its IUPAC name is anisole;tetrakis(2-(benzenesulfonyl)-1,4-dimethylbenzene);tetrakis((2,5-dimethylphenyl)-phenylmethanone);ethane;naphthalene;toluene.

Molecular Properties

Compound Nameanisole;tetrakis(2-(benzenesulfonyl)-1,4-dimethylbenzene);tetrakis((2,5-dimethylphenyl)-phenylmethanone);ethane;naphthalene;toluene
PubChem CID162182553
Molecular FormulaC223H242O24S4
Molecular Weight3434.63 g/mol
Exact Mass3431.66
IUPAC Nameanisole;tetrakis(2-(benzenesulfonyl)-1,4-dimethylbenzene);tetrakis((2,5-dimethylphenyl)-phenylmethanone);ethane;naphthalene;toluene
SMILESCC.CC.CC.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.Cc1ccc(C)c(C(=O)c2ccccc2)c1.Cc1ccc(C)c(C(=O)c2ccccc2)c1.Cc1ccc(C)c(C(=O)c2ccccc2)c1.Cc1ccc(C)c(C(=O)c2ccccc2)c1.Cc1ccc(C)c(S(=O)(=O)c2ccccc2)c1.Cc1ccc(C)c(S(=O)(=O)c2ccccc2)c1.Cc1ccc(C)c(S(=O)(=O)c2ccccc2)c1.Cc1ccc(C)c(S(=O)(=O)c2ccccc2)c1.Cc1ccccc1.c1ccc2ccccc2c1
InChIInChI=1S/4C15H14O.4C14H14O2S.C10H8.12C7H8O.C7H8.3C2H6/c4*1-11-8-9-12(2)14(10-11)15(16)13-6-4-3-5-7-13;4*1-11-8-9-12(2)14(10-11)17(15,16)13-6-4-3-5-7-13;1-2-6-10-8-4-3-7-9(10)5-1;12*1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;3*1-2/h4*3-10H,1-2H3;4*3-10H,1-2H3;1-8H;12*2-6H,1H3;2-6H,1H3;3*1-2H3
InChIKeyZPFPOEVIQLIPEW-UHFFFAOYSA-N
XLogP54.94
TPSA315.60 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms251
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003434.63
LogP ≤ 554.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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Related Compounds

9,10-Anthracenedione, 1,5-bis[[(4-methoxyphenyl)methyl]thio]-
CID 11049516
6-Methoxy-3-thiahexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4(9),5,7,12,14,16(24),17,19,21-undecaen-10-one
CID 12174415
1-[4-[2-Fluoro-4-(4-octylcyclohexyl)phenyl]phenyl]sulfanyl-5-(4-methoxyphenyl)sulfanylanthracene-9,10-dione
CID 58969639
[[4-(3-Benzoyl-4-methylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 139989868
[[4-(2-Benzoyl-3-methylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]-lambda4-sulfanyl] methanesulfonate
CID 139989890
[[4-(2-Benzoyl-3-methylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]-lambda4-sulfanyl] 4-methylbenzenesulfonate
CID 139989896
[[4-(3-Benzoyl-4-methylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]-lambda4-sulfanyl] 4-methylbenzenesulfonate
CID 139989929
[[4-(3-Benzoyl-4-methylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]-lambda4-sulfanyl] methanesulfonate
CID 139989968
[[4-(2-Benzoyl-3-methylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 139989988
[[6-(4-Methoxybenzoyl)naphthalen-2-yl]-diphenyl-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 141760371
[[2-Methoxy-6-[3-(4-methylphenyl)prop-2-enoyl]naphthalen-1-yl]-diphenyl-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 141760391
[[2-Methoxy-6-[3-(4-methylphenyl)prop-2-ynoyl]naphthalen-1-yl]-diphenyl-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 141760404

Frequently Asked Questions

What is the IUPAC name of anisole;tetrakis(2-(benzenesulfonyl)-1,4-dimethylbenzene);tetrakis((2,5-dimethylphenyl)-phenylmethanone);ethane;naphthalene;toluene?
The IUPAC name of anisole;tetrakis(2-(benzenesulfonyl)-1,4-dimethylbenzene);tetrakis((2,5-dimethylphenyl)-phenylmethanone);ethane;naphthalene;toluene (CID 162182553) is anisole;tetrakis(2-(benzenesulfonyl)-1,4-dimethylbenzene);tetrakis((2,5-dimethylphenyl)-phenylmethanone);ethane;naphthalene;toluene.
What is the SMILES notation for anisole;tetrakis(2-(benzenesulfonyl)-1,4-dimethylbenzene);tetrakis((2,5-dimethylphenyl)-phenylmethanone);ethane;naphthalene;toluene?
The canonical SMILES for anisole;tetrakis(2-(benzenesulfonyl)-1,4-dimethylbenzene);tetrakis((2,5-dimethylphenyl)-phenylmethanone);ethane;naphthalene;toluene is CC.CC.CC.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.Cc1ccc(C)c(C(=O)c2ccccc2)c1.Cc1ccc(C)c(C(=O)c2ccccc2)c1.Cc1ccc(C)c(C(=O)c2ccccc2)c1.Cc1ccc(C)c(C(=O)c2ccccc2)c1.Cc1ccc(C)c(S(=O)(=O)c2ccccc2)c1.Cc1ccc(C)c(S(=O)(=O)c2ccccc2)c1.Cc1ccc(C)c(S(=O)(=O)c2ccccc2)c1.Cc1ccc(C)c(S(=O)(=O)c2ccccc2)c1.Cc1ccccc1.c1ccc2ccccc2c1.
What is the InChIKey of anisole;tetrakis(2-(benzenesulfonyl)-1,4-dimethylbenzene);tetrakis((2,5-dimethylphenyl)-phenylmethanone);ethane;naphthalene;toluene?
The InChIKey is ZPFPOEVIQLIPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H14O.4C14H14O2S.C10H8.12C7H8O.C7H8.3C2H6/c4*1-11-8-9-12(2)14(10-11)15(16)13-6-4-3-5-7-13;4*1-11-8-9-12(2)14(10-11)17(15,16)13-6-4-3-5-7-13;1-2-6-10-8-4-3-7-9(10)5-1;12*1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;3*1-2/h4*3-10H,1-2H3;4*3-10H,1-2H3;1-8H;12*2-6H,1H3;2-6H,1H3;3*1-2H3.
What are the key properties of anisole;tetrakis(2-(benzenesulfonyl)-1,4-dimethylbenzene);tetrakis((2,5-dimethylphenyl)-phenylmethanone);ethane;naphthalene;toluene?
anisole;tetrakis(2-(benzenesulfonyl)-1,4-dimethylbenzene);tetrakis((2,5-dimethylphenyl)-phenylmethanone);ethane;naphthalene;toluene has a molecular weight of 3434.63 g/mol, XLogP of 54.94, 28 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;tetrakis(2-(benzenesulfonyl)-1,4-dimethylbenzene);tetrakis((2,5-dimethylphenyl)-phenylmethanone);ethane;naphthalene;toluene is sourced from PubChem (CID 162182553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).