(5S,27R)-24,24-dichloro-5,11,16,21-tetraethyl-4,12,17,22,27-pentamethyl-7,23,25,26-tetraza-24-stannaheptacyclo[11.9.3.15,8.115,18.02,6.010,25.020,23]heptacosa-1(22),2(6),3,7,9,11,13,15(26),16,18,20-undecaene

C35H40Cl2N4Sn — CID 59084223

IUPAC(5S,27R)-24,24-dichloro-5,11,16,21-tetraethyl-4,12,17,22,27-pentamethyl-7,23,25,26-tetraza-24-stannaheptacyclo[11.9.3.15,8.115,18.02,6.010,25.020,23]heptacosa-1(22),2(6),3,7,9,11,13,15(26),16,18,20-undecaene
SMILESCCC1=C(C)/C2=C/c3c(CC)c(C)c4n3[Sn](Cl)(Cl)n3/c(c(C)c(CC)/c3=C/C3=NC5=C4C=C(C)[C@]5(CC)[C@H]3C)=C\C1=N2
InChIInChI=1S/C35H40N4.2ClH.Sn/c1-10-23-19(6)28-16-32-25(12-3)21(8)33(38-32)26-14-18(5)35(13-4)22(9)29(39-34(26)35)17-31-24(11-2)20(7)27(37-31)15-30(23)36-28;;;/h14-17,22H,10-13H2,1-9H3;2*1H;/q-2;;;+4/p-2/b27-15-,28-16-,29-17-,30-15-,31-17-,32-16-,33-26-;;;/t22-,35+;;;/m0.../s1
InChIKeyQMALDXRBJURNFK-BNJWZTIRSA-L
MW706.35 g/mol
LogP7.61
Rot. Bonds4

About (5S,27R)-24,24-dichloro-5,11,16,21-tetraethyl-4,12,17,22,27-pentamethyl-7,23,25,26-tetraza-24-stannaheptacyclo[11.9.3.15,8.115,18.02,6.010,25.020,23]heptacosa-1(22),2(6),3,7,9,11,13,15(26),16,18,20-undecaene

(5S,27R)-24,24-dichloro-5,11,16,21-tetraethyl-4,12,17,22,27-pentamethyl-7,23,25,26-tetraza-24-stannaheptacyclo[11.9.3.15,8.115,18.02,6.010,25.020,23]heptacosa-1(22),2(6),3,7,9,11,13,15(26),16,18,20-undecaene (PubChem CID 59084223) has the molecular formula C35H40Cl2N4Sn and a molecular weight of 706.35 g/mol. Its IUPAC name is (5S,27R)-24,24-dichloro-5,11,16,21-tetraethyl-4,12,17,22,27-pentamethyl-7,23,25,26-tetraza-24-stannaheptacyclo[11.9.3.15,8.115,18.02,6.010,25.020,23]heptacosa-1(22),2(6),3,7,9,11,13,15(26),16,18,20-undecaene.

Molecular Properties

Compound Name(5S,27R)-24,24-dichloro-5,11,16,21-tetraethyl-4,12,17,22,27-pentamethyl-7,23,25,26-tetraza-24-stannaheptacyclo[11.9.3.15,8.115,18.02,6.010,25.020,23]heptacosa-1(22),2(6),3,7,9,11,13,15(26),16,18,20-undecaene
PubChem CID59084223
Molecular FormulaC35H40Cl2N4Sn
Molecular Weight706.35 g/mol
Exact Mass706.17
IUPAC Name(5S,27R)-24,24-dichloro-5,11,16,21-tetraethyl-4,12,17,22,27-pentamethyl-7,23,25,26-tetraza-24-stannaheptacyclo[11.9.3.15,8.115,18.02,6.010,25.020,23]heptacosa-1(22),2(6),3,7,9,11,13,15(26),16,18,20-undecaene
SMILESCCC1=C(C)/C2=C/c3c(CC)c(C)c4n3[Sn](Cl)(Cl)n3/c(c(C)c(CC)/c3=C/C3=NC5=C4C=C(C)[C@]5(CC)[C@H]3C)=C\C1=N2
InChIInChI=1S/C35H40N4.2ClH.Sn/c1-10-23-19(6)28-16-32-25(12-3)21(8)33(38-32)26-14-18(5)35(13-4)22(9)29(39-34(26)35)17-31-24(11-2)20(7)27(37-31)15-30(23)36-28;;;/h14-17,22H,10-13H2,1-9H3;2*1H;/q-2;;;+4/p-2/b27-15-,28-16-,29-17-,30-15-,31-17-,32-16-,33-26-;;;/t22-,35+;;;/m0.../s1
InChIKeyQMALDXRBJURNFK-BNJWZTIRSA-L
XLogP7.61
TPSA34.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.35
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S,27R)-24,24-dichloro-5,11,16,21-tetraethyl-4,12,17,22,27-pentamethyl-7,23,25,26-tetraza-24-stannaheptacyclo[11.9.3.15,8.115,18.02,6.010,25.020,23]heptacosa-1(22),2(6),3,7,9,11,13,15(26),16,18,20-undecaene 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 (5S,27R)-24,24-dichloro-5,11,16,21-tetraethyl-4,12,17,22,27-pentamethyl-7,23,25,26-tetraza-24-stannaheptacyclo[11.9.3.15,8.115,18.02,6.010,25.020,23]heptacosa-1(22),2(6),3,7,9,11,13,15(26),16,18,20-undecaene?
The IUPAC name of (5S,27R)-24,24-dichloro-5,11,16,21-tetraethyl-4,12,17,22,27-pentamethyl-7,23,25,26-tetraza-24-stannaheptacyclo[11.9.3.15,8.115,18.02,6.010,25.020,23]heptacosa-1(22),2(6),3,7,9,11,13,15(26),16,18,20-undecaene (CID 59084223) is (5S,27R)-24,24-dichloro-5,11,16,21-tetraethyl-4,12,17,22,27-pentamethyl-7,23,25,26-tetraza-24-stannaheptacyclo[11.9.3.15,8.115,18.02,6.010,25.020,23]heptacosa-1(22),2(6),3,7,9,11,13,15(26),16,18,20-undecaene.
What is the SMILES notation for (5S,27R)-24,24-dichloro-5,11,16,21-tetraethyl-4,12,17,22,27-pentamethyl-7,23,25,26-tetraza-24-stannaheptacyclo[11.9.3.15,8.115,18.02,6.010,25.020,23]heptacosa-1(22),2(6),3,7,9,11,13,15(26),16,18,20-undecaene?
The canonical SMILES for (5S,27R)-24,24-dichloro-5,11,16,21-tetraethyl-4,12,17,22,27-pentamethyl-7,23,25,26-tetraza-24-stannaheptacyclo[11.9.3.15,8.115,18.02,6.010,25.020,23]heptacosa-1(22),2(6),3,7,9,11,13,15(26),16,18,20-undecaene is CCC1=C(C)/C2=C/c3c(CC)c(C)c4n3[Sn](Cl)(Cl)n3/c(c(C)c(CC)/c3=C/C3=NC5=C4C=C(C)[C@]5(CC)[C@H]3C)=C\C1=N2.
What is the InChIKey of (5S,27R)-24,24-dichloro-5,11,16,21-tetraethyl-4,12,17,22,27-pentamethyl-7,23,25,26-tetraza-24-stannaheptacyclo[11.9.3.15,8.115,18.02,6.010,25.020,23]heptacosa-1(22),2(6),3,7,9,11,13,15(26),16,18,20-undecaene?
The InChIKey is QMALDXRBJURNFK-BNJWZTIRSA-L. The full InChI is InChI=1S/C35H40N4.2ClH.Sn/c1-10-23-19(6)28-16-32-25(12-3)21(8)33(38-32)26-14-18(5)35(13-4)22(9)29(39-34(26)35)17-31-24(11-2)20(7)27(37-31)15-30(23)36-28;;;/h14-17,22H,10-13H2,1-9H3;2*1H;/q-2;;;+4/p-2/b27-15-,28-16-,29-17-,30-15-,31-17-,32-16-,33-26-;;;/t22-,35+;;;/m0.../s1.
What are the key properties of (5S,27R)-24,24-dichloro-5,11,16,21-tetraethyl-4,12,17,22,27-pentamethyl-7,23,25,26-tetraza-24-stannaheptacyclo[11.9.3.15,8.115,18.02,6.010,25.020,23]heptacosa-1(22),2(6),3,7,9,11,13,15(26),16,18,20-undecaene?
(5S,27R)-24,24-dichloro-5,11,16,21-tetraethyl-4,12,17,22,27-pentamethyl-7,23,25,26-tetraza-24-stannaheptacyclo[11.9.3.15,8.115,18.02,6.010,25.020,23]heptacosa-1(22),2(6),3,7,9,11,13,15(26),16,18,20-undecaene has a molecular weight of 706.35 g/mol, XLogP of 7.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,27R)-24,24-dichloro-5,11,16,21-tetraethyl-4,12,17,22,27-pentamethyl-7,23,25,26-tetraza-24-stannaheptacyclo[11.9.3.15,8.115,18.02,6.010,25.020,23]heptacosa-1(22),2(6),3,7,9,11,13,15(26),16,18,20-undecaene is sourced from PubChem (CID 59084223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).