methyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate

C30H24O18 — CID 20661198

IUPACmethyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate
SMILESCOC(=O)Oc1cc2c3cc(OC(=O)OC)c(OC(=O)OC)cc3c3cc(OC(=O)OC)c(OC(=O)OC)cc3c2cc1OC(=O)OC
InChIInChI=1S/C30H24O18/c1-37-25(31)43-19-7-13-14(8-20(19)44-26(32)38-2)16-10-22(46-28(34)40-4)24(48-30(36)42-6)12-18(16)17-11-23(47-29(35)41-5)21(9-15(13)17)45-27(33)39-3/h7-12H,1-6H3
InChIKeyQGKFCNONIZQQOM-UHFFFAOYSA-N
MW672.50 g/mol
LogP6.02
Rot. Bonds6

About methyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate

methyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate (PubChem CID 20661198) has the molecular formula C30H24O18 and a molecular weight of 672.50 g/mol. Its IUPAC name is methyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate.

Molecular Properties

Compound Namemethyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate
PubChem CID20661198
Molecular FormulaC30H24O18
Molecular Weight672.50 g/mol
Exact Mass672.10
IUPAC Namemethyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate
SMILESCOC(=O)Oc1cc2c3cc(OC(=O)OC)c(OC(=O)OC)cc3c3cc(OC(=O)OC)c(OC(=O)OC)cc3c2cc1OC(=O)OC
InChIInChI=1S/C30H24O18/c1-37-25(31)43-19-7-13-14(8-20(19)44-26(32)38-2)16-10-22(46-28(34)40-4)24(48-30(36)42-6)12-18(16)17-11-23(47-29(35)41-5)21(9-15(13)17)45-27(33)39-3/h7-12H,1-6H3
InChIKeyQGKFCNONIZQQOM-UHFFFAOYSA-N
XLogP6.02
TPSA213.18 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500672.50
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-2-methoxyphenyl) methyl carbonate
CID 170342081
(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
(5-carbamoyl-2-methoxyphenyl) methyl carbonate
CID 122661696
(2-acetyl-5-methoxycarbonyloxyphenyl) methyl carbonate
CID 15365306
(2-amino-4-methylphenyl) methyl carbonate
CID 130705115
[2-methoxy-5-[(4-methoxy-5-methoxycarbonyloxy-2-propylphenyl)methyl]-4-propylphenyl] methyl carbonate
CID 175925760
[3-(methoxymethoxy)naphthalen-2-yl] methyl carbonate
CID 70288706
(2-iodophenyl) methyl carbonate
CID 102340361
(3,4-dimethoxyphenyl) methyl carbonate
CID 175298051
(2-acetylphenyl) methyl carbonate
CID 14493761
(2-ethylphenyl) methyl carbonate
CID 67179071
(4-amino-2,6-dichlorophenyl) methyl carbonate
CID 131111049

Frequently Asked Questions

What is the IUPAC name of methyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate?
The IUPAC name of methyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate (CID 20661198) is methyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate.
What is the SMILES notation for methyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate?
The canonical SMILES for methyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate is COC(=O)Oc1cc2c3cc(OC(=O)OC)c(OC(=O)OC)cc3c3cc(OC(=O)OC)c(OC(=O)OC)cc3c2cc1OC(=O)OC.
What is the InChIKey of methyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate?
The InChIKey is QGKFCNONIZQQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O18/c1-37-25(31)43-19-7-13-14(8-20(19)44-26(32)38-2)16-10-22(46-28(34)40-4)24(48-30(36)42-6)12-18(16)17-11-23(47-29(35)41-5)21(9-15(13)17)45-27(33)39-3/h7-12H,1-6H3.
What are the key properties of methyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate?
methyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate has a molecular weight of 672.50 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate is sourced from PubChem (CID 20661198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).