25,26-dichloro-2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene

C20H18Cl2N12 — CID 139093212

IUPAC25,26-dichloro-2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene
SMILESCN1c2cc(ncn2)N(C)c2ncnc(c2Cl)N(C)c2ncnc(c2Cl)N(C)c2cc1ncn2
InChIInChI=1S/C20H18Cl2N12/c1-31-11-5-13(25-7-23-11)32(2)17-15(21)19(29-9-27-17)34(4)20-16(22)18(28-10-30-20)33(3)14-6-12(31)24-8-26-14/h5-10H,1-4H3
InChIKeyDYHWDOTZVYXTMD-UHFFFAOYSA-N
MW497.35 g/mol
LogP3.54
Rot. Bonds

About 25,26-dichloro-2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene

25,26-dichloro-2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene (PubChem CID 139093212) has the molecular formula C20H18Cl2N12 and a molecular weight of 497.35 g/mol. Its IUPAC name is 25,26-dichloro-2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene.

Molecular Properties

Compound Name25,26-dichloro-2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene
PubChem CID139093212
Molecular FormulaC20H18Cl2N12
Molecular Weight497.35 g/mol
Exact Mass496.12
IUPAC Name25,26-dichloro-2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene
SMILESCN1c2cc(ncn2)N(C)c2ncnc(c2Cl)N(C)c2ncnc(c2Cl)N(C)c2cc1ncn2
InChIInChI=1S/C20H18Cl2N12/c1-31-11-5-13(25-7-23-11)32(2)17-15(21)19(29-9-27-17)34(4)20-16(22)18(28-10-30-20)33(3)14-6-12(31)24-8-26-14/h5-10H,1-4H3
InChIKeyDYHWDOTZVYXTMD-UHFFFAOYSA-N
XLogP3.54
TPSA116.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 25,26-dichloro-2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 25,26-dichloro-2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene?
The IUPAC name of 25,26-dichloro-2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene (CID 139093212) is 25,26-dichloro-2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene.
What is the SMILES notation for 25,26-dichloro-2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene?
The canonical SMILES for 25,26-dichloro-2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene is CN1c2cc(ncn2)N(C)c2ncnc(c2Cl)N(C)c2ncnc(c2Cl)N(C)c2cc1ncn2.
What is the InChIKey of 25,26-dichloro-2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene?
The InChIKey is DYHWDOTZVYXTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N12/c1-31-11-5-13(25-7-23-11)32(2)17-15(21)19(29-9-27-17)34(4)20-16(22)18(28-10-30-20)33(3)14-6-12(31)24-8-26-14/h5-10H,1-4H3.
What are the key properties of 25,26-dichloro-2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene?
25,26-dichloro-2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene has a molecular weight of 497.35 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 25,26-dichloro-2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene is sourced from PubChem (CID 139093212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).