5,17-dichloro-2,8,14,20-tetramethyl-2,4,6,8,14,16,18,20,26,28-decazapentacyclo[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

C22H20Cl2N10 — CID 102143902

IUPAC5,17-dichloro-2,8,14,20-tetramethyl-2,4,6,8,14,16,18,20,26,28-decazapentacyclo[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
SMILESCN1c2cccc(c2)N(C)c2nc(Cl)nc(n2)N(C)c2cccc(c2)N(C)c2nc(Cl)nc1n2
InChIInChI=1S/C22H20Cl2N10/c1-31-13-7-5-8-14(11-13)32(2)21-27-18(24)28-22(30-21)34(4)16-10-6-9-15(12-16)33(3)20-26-17(23)25-19(31)29-20/h5-12H,1-4H3
InChIKeyGKMPOKZWZABYKN-UHFFFAOYSA-N
MW495.38 g/mol
LogP4.75
Rot. Bonds

About 5,17-dichloro-2,8,14,20-tetramethyl-2,4,6,8,14,16,18,20,26,28-decazapentacyclo[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

5,17-dichloro-2,8,14,20-tetramethyl-2,4,6,8,14,16,18,20,26,28-decazapentacyclo[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 102143902) has the molecular formula C22H20Cl2N10 and a molecular weight of 495.38 g/mol. Its IUPAC name is 5,17-dichloro-2,8,14,20-tetramethyl-2,4,6,8,14,16,18,20,26,28-decazapentacyclo[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 Name5,17-dichloro-2,8,14,20-tetramethyl-2,4,6,8,14,16,18,20,26,28-decazapentacyclo[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 CID102143902
Molecular FormulaC22H20Cl2N10
Molecular Weight495.38 g/mol
Exact Mass494.12
IUPAC Name5,17-dichloro-2,8,14,20-tetramethyl-2,4,6,8,14,16,18,20,26,28-decazapentacyclo[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
SMILESCN1c2cccc(c2)N(C)c2nc(Cl)nc(n2)N(C)c2cccc(c2)N(C)c2nc(Cl)nc1n2
InChIInChI=1S/C22H20Cl2N10/c1-31-13-7-5-8-14(11-13)32(2)21-27-18(24)28-22(30-21)34(4)16-10-6-9-15(12-16)33(3)20-26-17(23)25-19(31)29-20/h5-12H,1-4H3
InChIKeyGKMPOKZWZABYKN-UHFFFAOYSA-N
XLogP4.75
TPSA90.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.38
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5,17-dichloro-2,8,14,20-tetramethyl-2,4,6,8,14,16,18,20,26,28-decazapentacyclo[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

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Frequently Asked Questions

What is the IUPAC name of 5,17-dichloro-2,8,14,20-tetramethyl-2,4,6,8,14,16,18,20,26,28-decazapentacyclo[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 5,17-dichloro-2,8,14,20-tetramethyl-2,4,6,8,14,16,18,20,26,28-decazapentacyclo[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 102143902) is 5,17-dichloro-2,8,14,20-tetramethyl-2,4,6,8,14,16,18,20,26,28-decazapentacyclo[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 5,17-dichloro-2,8,14,20-tetramethyl-2,4,6,8,14,16,18,20,26,28-decazapentacyclo[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 5,17-dichloro-2,8,14,20-tetramethyl-2,4,6,8,14,16,18,20,26,28-decazapentacyclo[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 CN1c2cccc(c2)N(C)c2nc(Cl)nc(n2)N(C)c2cccc(c2)N(C)c2nc(Cl)nc1n2.
What is the InChIKey of 5,17-dichloro-2,8,14,20-tetramethyl-2,4,6,8,14,16,18,20,26,28-decazapentacyclo[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 GKMPOKZWZABYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N10/c1-31-13-7-5-8-14(11-13)32(2)21-27-18(24)28-22(30-21)34(4)16-10-6-9-15(12-16)33(3)20-26-17(23)25-19(31)29-20/h5-12H,1-4H3.
What are the key properties of 5,17-dichloro-2,8,14,20-tetramethyl-2,4,6,8,14,16,18,20,26,28-decazapentacyclo[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?
5,17-dichloro-2,8,14,20-tetramethyl-2,4,6,8,14,16,18,20,26,28-decazapentacyclo[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 495.38 g/mol, XLogP of 4.75, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,17-dichloro-2,8,14,20-tetramethyl-2,4,6,8,14,16,18,20,26,28-decazapentacyclo[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 102143902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).