38,38-dichloro-4,13,23,32-tetraethoxy-5,14,22,31-tetraoctoxy-9,18,27,36,37,39,40,41-octaza-38-germadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaene

C72H96Cl2GeN8O8 — CID 164686676

IUPAC38,38-dichloro-4,13,23,32-tetraethoxy-5,14,22,31-tetraoctoxy-9,18,27,36,37,39,40,41-octaza-38-germadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaene
SMILESCCCCCCCCOc1cc2c(cc1OCC)C1=N/C2=N\c2c3cc(OCC)c(OCCCCCCCC)cc3c3n2[Ge](Cl)(Cl)n2/c(c4cc(OCC)c(OCCCCCCCC)cc4/c2=N/C2=N/C(=N\3)c3cc(OCCCCCCCC)c(OCC)cc32)=N\1
InChIInChI=1S/C72H96Cl2GeN8O8/c1-9-17-21-25-29-33-37-88-61-43-51-49(41-57(61)84-13-5)65-76-67(51)80-70-54-46-60(87-16-8)64(91-40-36-32-28-24-20-12-4)48-56(54)72-81-68-52-44-62(89-38-34-30-26-22-18-10-2)58(85-14-6)42-50(52)66(77-68)79-71-55-47-63(90-39-35-31-27-23-19-11-3)59(86-15-7)45-53(55)69(78-65)82(71)75(73,74)83(70)72/h41-48H,9-40H2,1-8H3/b78-65-,78-69-,79-66-,79-71-,80-67-,80-70-,81-68-,81-72-
InChIKeyULYVJENWOSCMRJ-WIKDXLHASA-N
MW1345.12 g/mol
LogP18.40
Rot. Bonds40

About 38,38-dichloro-4,13,23,32-tetraethoxy-5,14,22,31-tetraoctoxy-9,18,27,36,37,39,40,41-octaza-38-germadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaene

38,38-dichloro-4,13,23,32-tetraethoxy-5,14,22,31-tetraoctoxy-9,18,27,36,37,39,40,41-octaza-38-germadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaene (PubChem CID 164686676) has the molecular formula C72H96Cl2GeN8O8 and a molecular weight of 1345.12 g/mol. Its IUPAC name is 38,38-dichloro-4,13,23,32-tetraethoxy-5,14,22,31-tetraoctoxy-9,18,27,36,37,39,40,41-octaza-38-germadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaene.

Molecular Properties

Compound Name38,38-dichloro-4,13,23,32-tetraethoxy-5,14,22,31-tetraoctoxy-9,18,27,36,37,39,40,41-octaza-38-germadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaene
PubChem CID164686676
Molecular FormulaC72H96Cl2GeN8O8
Molecular Weight1345.12 g/mol
Exact Mass1344.59
IUPAC Name38,38-dichloro-4,13,23,32-tetraethoxy-5,14,22,31-tetraoctoxy-9,18,27,36,37,39,40,41-octaza-38-germadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaene
SMILESCCCCCCCCOc1cc2c(cc1OCC)C1=N/C2=N\c2c3cc(OCC)c(OCCCCCCCC)cc3c3n2[Ge](Cl)(Cl)n2/c(c4cc(OCC)c(OCCCCCCCC)cc4/c2=N/C2=N/C(=N\3)c3cc(OCCCCCCCC)c(OCC)cc32)=N\1
InChIInChI=1S/C72H96Cl2GeN8O8/c1-9-17-21-25-29-33-37-88-61-43-51-49(41-57(61)84-13-5)65-76-67(51)80-70-54-46-60(87-16-8)64(91-40-36-32-28-24-20-12-4)48-56(54)72-81-68-52-44-62(89-38-34-30-26-22-18-10-2)58(85-14-6)42-50(52)66(77-68)79-71-55-47-63(90-39-35-31-27-23-19-11-3)59(86-15-7)45-53(55)69(78-65)82(71)75(73,74)83(70)72/h41-48H,9-40H2,1-8H3/b78-65-,78-69-,79-66-,79-71-,80-67-,80-70-,81-68-,81-72-
InChIKeyULYVJENWOSCMRJ-WIKDXLHASA-N
XLogP18.40
TPSA157.86 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds40
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001345.12
LogP ≤ 518.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 38,38-dichloro-4,13,23,32-tetraethoxy-5,14,22,31-tetraoctoxy-9,18,27,36,37,39,40,41-octaza-38-germadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaene with MolForge

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Related Compounds

4,5,13,14,22,23,31,32-octabutoxy-38,38-dichloro-9,18,27,36,37,39,40,41-octaza-38-germadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaene
CID 16687804
38,38-dihydroxy-4,5,13,14,22,23,31,32-octaoctoxy-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaene
CID 5043462
38,38-dihydroxy-4,13,22,31-tetramethoxy-5,14,23,32-tetraoctoxy-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaene
CID 100983892
2-dodecoxy-3,6,7,10,11-pentahexoxytriphenylene
CID 86225228
2,3,6,7,10-pentahexoxy-11-[7-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyheptoxy]triphenylene
CID 100981967
2,3-dibutoxy-6,7,10,11-tetrakis-decoxytriphenylene
CID 86203884
2,3,6,7,10-pentahexoxy-11-[3-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxypropoxy]triphenylene
CID 100981965
1,2,4,5-tetrakis-decoxybenzene
CID 10556791
3,6,7,10-tetrapentoxytriphenylene-2,11-diol
CID 10031566
2-(6-bromohexoxy)-3,6,7,10,11-pentahexadecoxytriphenylene
CID 133083329
2-(5-bromopentoxy)-3,6,7,10,11-pentahexoxytriphenylene
CID 102400325
2,6,10-tripentoxy-3,7,11-tripropoxytriphenylene
CID 101030004

Frequently Asked Questions

What is the IUPAC name of 38,38-dichloro-4,13,23,32-tetraethoxy-5,14,22,31-tetraoctoxy-9,18,27,36,37,39,40,41-octaza-38-germadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaene?
The IUPAC name of 38,38-dichloro-4,13,23,32-tetraethoxy-5,14,22,31-tetraoctoxy-9,18,27,36,37,39,40,41-octaza-38-germadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaene (CID 164686676) is 38,38-dichloro-4,13,23,32-tetraethoxy-5,14,22,31-tetraoctoxy-9,18,27,36,37,39,40,41-octaza-38-germadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaene.
What is the SMILES notation for 38,38-dichloro-4,13,23,32-tetraethoxy-5,14,22,31-tetraoctoxy-9,18,27,36,37,39,40,41-octaza-38-germadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaene?
The canonical SMILES for 38,38-dichloro-4,13,23,32-tetraethoxy-5,14,22,31-tetraoctoxy-9,18,27,36,37,39,40,41-octaza-38-germadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaene is CCCCCCCCOc1cc2c(cc1OCC)C1=N/C2=N\c2c3cc(OCC)c(OCCCCCCCC)cc3c3n2[Ge](Cl)(Cl)n2/c(c4cc(OCC)c(OCCCCCCCC)cc4/c2=N/C2=N/C(=N\3)c3cc(OCCCCCCCC)c(OCC)cc32)=N\1.
What is the InChIKey of 38,38-dichloro-4,13,23,32-tetraethoxy-5,14,22,31-tetraoctoxy-9,18,27,36,37,39,40,41-octaza-38-germadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaene?
The InChIKey is ULYVJENWOSCMRJ-WIKDXLHASA-N. The full InChI is InChI=1S/C72H96Cl2GeN8O8/c1-9-17-21-25-29-33-37-88-61-43-51-49(41-57(61)84-13-5)65-76-67(51)80-70-54-46-60(87-16-8)64(91-40-36-32-28-24-20-12-4)48-56(54)72-81-68-52-44-62(89-38-34-30-26-22-18-10-2)58(85-14-6)42-50(52)66(77-68)79-71-55-47-63(90-39-35-31-27-23-19-11-3)59(86-15-7)45-53(55)69(78-65)82(71)75(73,74)83(70)72/h41-48H,9-40H2,1-8H3/b78-65-,78-69-,79-66-,79-71-,80-67-,80-70-,81-68-,81-72-.
What are the key properties of 38,38-dichloro-4,13,23,32-tetraethoxy-5,14,22,31-tetraoctoxy-9,18,27,36,37,39,40,41-octaza-38-germadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaene?
38,38-dichloro-4,13,23,32-tetraethoxy-5,14,22,31-tetraoctoxy-9,18,27,36,37,39,40,41-octaza-38-germadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaene has a molecular weight of 1345.12 g/mol, XLogP of 18.40, 40 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 38,38-dichloro-4,13,23,32-tetraethoxy-5,14,22,31-tetraoctoxy-9,18,27,36,37,39,40,41-octaza-38-germadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaene is sourced from PubChem (CID 164686676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).