10,26-dichloro-7,13,23,29-tetraoxa-9,11,25,27,35,40-hexazaheptacyclo[28.2.2.23,6.214,17.219,22.18,12.124,28]dotetraconta-1(32),3(42),4,6(41),8(40),9,11,14(39),15,17(38),19,21,24,26,28(35),30,33,36-octadecaene-2,18-dione

C32H16Cl2N6O6 — CID 135017087

IUPAC10,26-dichloro-7,13,23,29-tetraoxa-9,11,25,27,35,40-hexazaheptacyclo[28.2.2.23,6.214,17.219,22.18,12.124,28]dotetraconta-1(32),3(42),4,6(41),8(40),9,11,14(39),15,17(38),19,21,24,26,28(35),30,33,36-octadecaene-2,18-dione
SMILESO=c1c2ccc(cc2)oc2nc(Cl)nc(n2)oc2ccc(cc2)c(=O)c2ccc(cc2)oc2nc(Cl)nc(n2)oc2ccc1cc2
InChIInChI=1S/C32H16Cl2N6O6/c33-27-35-29-39-30(36-27)45-23-13-5-19(6-14-23)26(42)20-7-15-24(16-8-20)46-32-38-28(34)37-31(40-32)44-22-11-3-18(4-12-22)25(41)17-1-9-21(43-29)10-2-17/h1-16H
InChIKeyWBFKNZKCZSLIJX-UHFFFAOYSA-N
MW651.42 g/mol
LogP7.31
Rot. Bonds

About 10,26-dichloro-7,13,23,29-tetraoxa-9,11,25,27,35,40-hexazaheptacyclo[28.2.2.23,6.214,17.219,22.18,12.124,28]dotetraconta-1(32),3(42),4,6(41),8(40),9,11,14(39),15,17(38),19,21,24,26,28(35),30,33,36-octadecaene-2,18-dione

10,26-dichloro-7,13,23,29-tetraoxa-9,11,25,27,35,40-hexazaheptacyclo[28.2.2.23,6.214,17.219,22.18,12.124,28]dotetraconta-1(32),3(42),4,6(41),8(40),9,11,14(39),15,17(38),19,21,24,26,28(35),30,33,36-octadecaene-2,18-dione (PubChem CID 135017087) has the molecular formula C32H16Cl2N6O6 and a molecular weight of 651.42 g/mol. Its IUPAC name is 10,26-dichloro-7,13,23,29-tetraoxa-9,11,25,27,35,40-hexazaheptacyclo[28.2.2.23,6.214,17.219,22.18,12.124,28]dotetraconta-1(32),3(42),4,6(41),8(40),9,11,14(39),15,17(38),19,21,24,26,28(35),30,33,36-octadecaene-2,18-dione.

Molecular Properties

Compound Name10,26-dichloro-7,13,23,29-tetraoxa-9,11,25,27,35,40-hexazaheptacyclo[28.2.2.23,6.214,17.219,22.18,12.124,28]dotetraconta-1(32),3(42),4,6(41),8(40),9,11,14(39),15,17(38),19,21,24,26,28(35),30,33,36-octadecaene-2,18-dione
PubChem CID135017087
Molecular FormulaC32H16Cl2N6O6
Molecular Weight651.42 g/mol
Exact Mass650.05
IUPAC Name10,26-dichloro-7,13,23,29-tetraoxa-9,11,25,27,35,40-hexazaheptacyclo[28.2.2.23,6.214,17.219,22.18,12.124,28]dotetraconta-1(32),3(42),4,6(41),8(40),9,11,14(39),15,17(38),19,21,24,26,28(35),30,33,36-octadecaene-2,18-dione
SMILESO=c1c2ccc(cc2)oc2nc(Cl)nc(n2)oc2ccc(cc2)c(=O)c2ccc(cc2)oc2nc(Cl)nc(n2)oc2ccc1cc2
InChIInChI=1S/C32H16Cl2N6O6/c33-27-35-29-39-30(36-27)45-23-13-5-19(6-14-23)26(42)20-7-15-24(16-8-20)46-32-38-28(34)37-31(40-32)44-22-11-3-18(4-12-22)25(41)17-1-9-21(43-29)10-2-17/h1-16H
InChIKeyWBFKNZKCZSLIJX-UHFFFAOYSA-N
XLogP7.31
TPSA164.04 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500651.42
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 10,26-dichloro-7,13,23,29-tetraoxa-9,11,25,27,35,40-hexazaheptacyclo[28.2.2.23,6.214,17.219,22.18,12.124,28]dotetraconta-1(32),3(42),4,6(41),8(40),9,11,14(39),15,17(38),19,21,24,26,28(35),30,33,36-octadecaene-2,18-dione with MolForge

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Related Compounds

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CID 172441146
(E)-1-[4-[[4,6-bis[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-3-(4-chlorophenyl)prop-2-en-1-one
CID 172443963
(E)-1-[4-[[4,6-bis[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-3-(2,4-dichlorophenyl)prop-2-en-1-one
CID 172454380
(E)-1-[4-[[4,6-bis[4-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-3-(4-methylphenyl)prop-2-en-1-one
CID 172459415
2,4,6-Tris(4-formylphenoxy)-1,3,5-triazine
CID 11744003
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CID 73346182
(E)-3-[4-[[4,6-bis[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one
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CID 73350811
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CID 73353767
(E)-3-[4-[[4,6-bis[4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
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[4-[[4,6-Bis[4-(4-fluorobenzoyl)phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-(4-fluorophenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of 10,26-dichloro-7,13,23,29-tetraoxa-9,11,25,27,35,40-hexazaheptacyclo[28.2.2.23,6.214,17.219,22.18,12.124,28]dotetraconta-1(32),3(42),4,6(41),8(40),9,11,14(39),15,17(38),19,21,24,26,28(35),30,33,36-octadecaene-2,18-dione?
The IUPAC name of 10,26-dichloro-7,13,23,29-tetraoxa-9,11,25,27,35,40-hexazaheptacyclo[28.2.2.23,6.214,17.219,22.18,12.124,28]dotetraconta-1(32),3(42),4,6(41),8(40),9,11,14(39),15,17(38),19,21,24,26,28(35),30,33,36-octadecaene-2,18-dione (CID 135017087) is 10,26-dichloro-7,13,23,29-tetraoxa-9,11,25,27,35,40-hexazaheptacyclo[28.2.2.23,6.214,17.219,22.18,12.124,28]dotetraconta-1(32),3(42),4,6(41),8(40),9,11,14(39),15,17(38),19,21,24,26,28(35),30,33,36-octadecaene-2,18-dione.
What is the SMILES notation for 10,26-dichloro-7,13,23,29-tetraoxa-9,11,25,27,35,40-hexazaheptacyclo[28.2.2.23,6.214,17.219,22.18,12.124,28]dotetraconta-1(32),3(42),4,6(41),8(40),9,11,14(39),15,17(38),19,21,24,26,28(35),30,33,36-octadecaene-2,18-dione?
The canonical SMILES for 10,26-dichloro-7,13,23,29-tetraoxa-9,11,25,27,35,40-hexazaheptacyclo[28.2.2.23,6.214,17.219,22.18,12.124,28]dotetraconta-1(32),3(42),4,6(41),8(40),9,11,14(39),15,17(38),19,21,24,26,28(35),30,33,36-octadecaene-2,18-dione is O=c1c2ccc(cc2)oc2nc(Cl)nc(n2)oc2ccc(cc2)c(=O)c2ccc(cc2)oc2nc(Cl)nc(n2)oc2ccc1cc2.
What is the InChIKey of 10,26-dichloro-7,13,23,29-tetraoxa-9,11,25,27,35,40-hexazaheptacyclo[28.2.2.23,6.214,17.219,22.18,12.124,28]dotetraconta-1(32),3(42),4,6(41),8(40),9,11,14(39),15,17(38),19,21,24,26,28(35),30,33,36-octadecaene-2,18-dione?
The InChIKey is WBFKNZKCZSLIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H16Cl2N6O6/c33-27-35-29-39-30(36-27)45-23-13-5-19(6-14-23)26(42)20-7-15-24(16-8-20)46-32-38-28(34)37-31(40-32)44-22-11-3-18(4-12-22)25(41)17-1-9-21(43-29)10-2-17/h1-16H.
What are the key properties of 10,26-dichloro-7,13,23,29-tetraoxa-9,11,25,27,35,40-hexazaheptacyclo[28.2.2.23,6.214,17.219,22.18,12.124,28]dotetraconta-1(32),3(42),4,6(41),8(40),9,11,14(39),15,17(38),19,21,24,26,28(35),30,33,36-octadecaene-2,18-dione?
10,26-dichloro-7,13,23,29-tetraoxa-9,11,25,27,35,40-hexazaheptacyclo[28.2.2.23,6.214,17.219,22.18,12.124,28]dotetraconta-1(32),3(42),4,6(41),8(40),9,11,14(39),15,17(38),19,21,24,26,28(35),30,33,36-octadecaene-2,18-dione has a molecular weight of 651.42 g/mol, XLogP of 7.31, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 10,26-dichloro-7,13,23,29-tetraoxa-9,11,25,27,35,40-hexazaheptacyclo[28.2.2.23,6.214,17.219,22.18,12.124,28]dotetraconta-1(32),3(42),4,6(41),8(40),9,11,14(39),15,17(38),19,21,24,26,28(35),30,33,36-octadecaene-2,18-dione is sourced from PubChem (CID 135017087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).