(24,25-dichloro-15,16,17,23-tetramethoxy-6,7,8,14-tetraoctoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-5-yl)silane

C68H128Cl2N8O8Si — CID 173392930

IUPAC(24,25-dichloro-15,16,17,23-tetramethoxy-6,7,8,14-tetraoctoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-5-yl)silane
SMILESCCCCCCCCOC1C([SiH3])C2C3NC4NC(NC5NC(NC6NC(NC(N3)C2C(OCCCCCCCC)C1OCCCCCCCC)C1C(OCCCCCCCC)C(OC)C(OC)C(OC)C61)C1C5CC(Cl)C(Cl)C1OC)C1CCCCC41
InChIInChI=1S/C68H128Cl2N8O8Si/c1-9-13-17-21-25-31-37-83-54-48-47(53(80-6)56(81-7)57(54)82-8)65-75-64-46-44(41-45(69)51(70)52(46)79-5)63(74-64)72-61-42-35-29-30-36-43(42)62(71-61)73-68-50-49(67(78-68)77-66(48)76-65)55(84-38-32-26-22-18-14-10-2)58(85-39-33-27-23-19-15-11-3)59(60(50)87)86-40-34-28-24-20-16-12-4/h42-68,71-78H,9-41H2,1-8,87H3
InChIKeyWFPCBXPTJVQBGY-UHFFFAOYSA-N
MW1284.81 g/mol
LogP9.73
Rot. Bonds36

About (24,25-dichloro-15,16,17,23-tetramethoxy-6,7,8,14-tetraoctoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-5-yl)silane

(24,25-dichloro-15,16,17,23-tetramethoxy-6,7,8,14-tetraoctoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-5-yl)silane (PubChem CID 173392930) has the molecular formula C68H128Cl2N8O8Si and a molecular weight of 1284.81 g/mol. Its IUPAC name is (24,25-dichloro-15,16,17,23-tetramethoxy-6,7,8,14-tetraoctoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-5-yl)silane.

Molecular Properties

Compound Name(24,25-dichloro-15,16,17,23-tetramethoxy-6,7,8,14-tetraoctoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-5-yl)silane
PubChem CID173392930
Molecular FormulaC68H128Cl2N8O8Si
Molecular Weight1284.81 g/mol
Exact Mass1282.90
IUPAC Name(24,25-dichloro-15,16,17,23-tetramethoxy-6,7,8,14-tetraoctoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-5-yl)silane
SMILESCCCCCCCCOC1C([SiH3])C2C3NC4NC(NC5NC(NC6NC(NC(N3)C2C(OCCCCCCCC)C1OCCCCCCCC)C1C(OCCCCCCCC)C(OC)C(OC)C(OC)C61)C1C5CC(Cl)C(Cl)C1OC)C1CCCCC41
InChIInChI=1S/C68H128Cl2N8O8Si/c1-9-13-17-21-25-31-37-83-54-48-47(53(80-6)56(81-7)57(54)82-8)65-75-64-46-44(41-45(69)51(70)52(46)79-5)63(74-64)72-61-42-35-29-30-36-43(42)62(71-61)73-68-50-49(67(78-68)77-66(48)76-65)55(84-38-32-26-22-18-14-10-2)58(85-39-33-27-23-19-15-11-3)59(60(50)87)86-40-34-28-24-20-16-12-4/h42-68,71-78H,9-41H2,1-8,87H3
InChIKeyWFPCBXPTJVQBGY-UHFFFAOYSA-N
XLogP9.73
TPSA170.08 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds36
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001284.81
LogP ≤ 59.73
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (24,25-dichloro-15,16,17,23-tetramethoxy-6,7,8,14-tetraoctoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-5-yl)silane with MolForge

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

Launch Full Analysis

Related Compounds

5,6,7,8,14,15,16,17-octamethoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane;silane;hexahydrochloride
CID 173313167
5,8,14,17,23,26,32,35-octapentoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 57018214
5-hexyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 173214391
octoxycyclopentane
CID 14691467
pentadecoxycyclopentane
CID 155570194
6,7-dichloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane-5,8-diol
CID 173320181
2-heptoxycyclohexan-1-ol
CID 18953012
2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-5-yl octanoate
CID 174350409
5,8,14,17,23,26-hexabutoxy-32,35-dihexyl-6,7,15,16,24,25-hexapyridin-4-yl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 173259864
1-chloro-3-octoxy-2-propoxycyclobutane
CID 107942863
23,24,25,26,32,33,34,38-octachloro-5,6,7,8,14,15,16,17-octakis(octylsulfanyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 173310327
copper 6,7,15,16,24,25,33,34-octaoctoxy-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 175871295

Frequently Asked Questions

What is the IUPAC name of (24,25-dichloro-15,16,17,23-tetramethoxy-6,7,8,14-tetraoctoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-5-yl)silane?
The IUPAC name of (24,25-dichloro-15,16,17,23-tetramethoxy-6,7,8,14-tetraoctoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-5-yl)silane (CID 173392930) is (24,25-dichloro-15,16,17,23-tetramethoxy-6,7,8,14-tetraoctoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-5-yl)silane.
What is the SMILES notation for (24,25-dichloro-15,16,17,23-tetramethoxy-6,7,8,14-tetraoctoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-5-yl)silane?
The canonical SMILES for (24,25-dichloro-15,16,17,23-tetramethoxy-6,7,8,14-tetraoctoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-5-yl)silane is CCCCCCCCOC1C([SiH3])C2C3NC4NC(NC5NC(NC6NC(NC(N3)C2C(OCCCCCCCC)C1OCCCCCCCC)C1C(OCCCCCCCC)C(OC)C(OC)C(OC)C61)C1C5CC(Cl)C(Cl)C1OC)C1CCCCC41.
What is the InChIKey of (24,25-dichloro-15,16,17,23-tetramethoxy-6,7,8,14-tetraoctoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-5-yl)silane?
The InChIKey is WFPCBXPTJVQBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H128Cl2N8O8Si/c1-9-13-17-21-25-31-37-83-54-48-47(53(80-6)56(81-7)57(54)82-8)65-75-64-46-44(41-45(69)51(70)52(46)79-5)63(74-64)72-61-42-35-29-30-36-43(42)62(71-61)73-68-50-49(67(78-68)77-66(48)76-65)55(84-38-32-26-22-18-14-10-2)58(85-39-33-27-23-19-15-11-3)59(60(50)87)86-40-34-28-24-20-16-12-4/h42-68,71-78H,9-41H2,1-8,87H3.
What are the key properties of (24,25-dichloro-15,16,17,23-tetramethoxy-6,7,8,14-tetraoctoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-5-yl)silane?
(24,25-dichloro-15,16,17,23-tetramethoxy-6,7,8,14-tetraoctoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-5-yl)silane has a molecular weight of 1284.81 g/mol, XLogP of 9.73, 36 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (24,25-dichloro-15,16,17,23-tetramethoxy-6,7,8,14-tetraoctoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-5-yl)silane is sourced from PubChem (CID 173392930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).