25,26,27,28-tetrachloro-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(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene

C20H16Cl4N12 — CID 139093210

IUPAC25,26,27,28-tetrachloro-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(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
SMILESCN1c2ncnc(c2Cl)N(C)c2ncnc(c2Cl)N(C)c2ncnc(c2Cl)N(C)c2ncnc1c2Cl
InChIInChI=1S/C20H16Cl4N12/c1-33-13-9(21)15(27-5-25-13)34(2)17-11(23)19(31-7-29-17)36(4)20-12(24)18(30-8-32-20)35(3)16-10(22)14(33)26-6-28-16/h5-8H,1-4H3
InChIKeyYIKUOXRFTNYFAB-UHFFFAOYSA-N
MW566.24 g/mol
LogP4.85
Rot. Bonds

About 25,26,27,28-tetrachloro-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(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene

25,26,27,28-tetrachloro-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(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene (PubChem CID 139093210) has the molecular formula C20H16Cl4N12 and a molecular weight of 566.24 g/mol. Its IUPAC name is 25,26,27,28-tetrachloro-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(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene.

Molecular Properties

Compound Name25,26,27,28-tetrachloro-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(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
PubChem CID139093210
Molecular FormulaC20H16Cl4N12
Molecular Weight566.24 g/mol
Exact Mass564.04
IUPAC Name25,26,27,28-tetrachloro-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(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
SMILESCN1c2ncnc(c2Cl)N(C)c2ncnc(c2Cl)N(C)c2ncnc(c2Cl)N(C)c2ncnc1c2Cl
InChIInChI=1S/C20H16Cl4N12/c1-33-13-9(21)15(27-5-25-13)34(2)17-11(23)19(31-7-29-17)36(4)20-12(24)18(30-8-32-20)35(3)16-10(22)14(33)26-6-28-16/h5-8H,1-4H3
InChIKeyYIKUOXRFTNYFAB-UHFFFAOYSA-N
XLogP4.85
TPSA116.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.24
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 25,26,27,28-tetrachloro-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(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 25,26,27,28-tetrachloro-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(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene?
The IUPAC name of 25,26,27,28-tetrachloro-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(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene (CID 139093210) is 25,26,27,28-tetrachloro-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(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene.
What is the SMILES notation for 25,26,27,28-tetrachloro-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(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene?
The canonical SMILES for 25,26,27,28-tetrachloro-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(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene is CN1c2ncnc(c2Cl)N(C)c2ncnc(c2Cl)N(C)c2ncnc(c2Cl)N(C)c2ncnc1c2Cl.
What is the InChIKey of 25,26,27,28-tetrachloro-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(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene?
The InChIKey is YIKUOXRFTNYFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl4N12/c1-33-13-9(21)15(27-5-25-13)34(2)17-11(23)19(31-7-29-17)36(4)20-12(24)18(30-8-32-20)35(3)16-10(22)14(33)26-6-28-16/h5-8H,1-4H3.
What are the key properties of 25,26,27,28-tetrachloro-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(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene?
25,26,27,28-tetrachloro-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(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene has a molecular weight of 566.24 g/mol, XLogP of 4.85, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 25,26,27,28-tetrachloro-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(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene is sourced from PubChem (CID 139093210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).