4,27-bis(4-nitrophenyl)-34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene

C54H30Ge2N4O8 — CID 140849018

IUPAC4,27-bis(4-nitrophenyl)-34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene
SMILESO=[N+]([O-])c1ccc([Ge]23c4c5cccc4Oc4c6c7c(c(c42)N(c2ccccc2)c2cccc(c23)O5)N(c2ccccc2)c2cccc3c2[Ge]7(c2ccc([N+](=O)[O-])cc2)c2c(cccc2O6)O3)cc1
InChIInChI=1S/C54H30Ge2N4O8/c61-59(62)35-27-23-31(24-28-35)55-45-37-15-7-17-39(45)65-41-19-9-21-43(47(41)55)67-53-49(55)51(57(37)33-11-3-1-4-12-33)52-50-54(53)68-44-22-10-20-42-48(44)56(50,32-25-29-36(30-26-32)60(63)64)46-38(16-8-18-40(46)66-42)58(52)34-13-5-2-6-14-34/h1-30H
InChIKeyKOMXDGLUOYNTED-UHFFFAOYSA-N
MW1008.07 g/mol
LogP8.25
Rot. Bonds6

About 4,27-bis(4-nitrophenyl)-34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene

4,27-bis(4-nitrophenyl)-34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene (PubChem CID 140849018) has the molecular formula C54H30Ge2N4O8 and a molecular weight of 1008.07 g/mol. Its IUPAC name is 4,27-bis(4-nitrophenyl)-34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene.

Molecular Properties

Compound Name4,27-bis(4-nitrophenyl)-34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene
PubChem CID140849018
Molecular FormulaC54H30Ge2N4O8
Molecular Weight1008.07 g/mol
Exact Mass1010.05
IUPAC Name4,27-bis(4-nitrophenyl)-34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene
SMILESO=[N+]([O-])c1ccc([Ge]23c4c5cccc4Oc4c6c7c(c(c42)N(c2ccccc2)c2cccc(c23)O5)N(c2ccccc2)c2cccc3c2[Ge]7(c2ccc([N+](=O)[O-])cc2)c2c(cccc2O6)O3)cc1
InChIInChI=1S/C54H30Ge2N4O8/c61-59(62)35-27-23-31(24-28-35)55-45-37-15-7-17-39(45)65-41-19-9-21-43(47(41)55)67-53-49(55)51(57(37)33-11-3-1-4-12-33)52-50-54(53)68-44-22-10-20-42-48(44)56(50,32-25-29-36(30-26-32)60(63)64)46-38(16-8-18-40(46)66-42)58(52)34-13-5-2-6-14-34/h1-30H
InChIKeyKOMXDGLUOYNTED-UHFFFAOYSA-N
XLogP8.25
TPSA129.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001008.07
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4,27-bis(4-nitrophenyl)-34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,27-bis(4-nitrophenyl)-34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene?
The IUPAC name of 4,27-bis(4-nitrophenyl)-34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene (CID 140849018) is 4,27-bis(4-nitrophenyl)-34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene.
What is the SMILES notation for 4,27-bis(4-nitrophenyl)-34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene?
The canonical SMILES for 4,27-bis(4-nitrophenyl)-34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene is O=[N+]([O-])c1ccc([Ge]23c4c5cccc4Oc4c6c7c(c(c42)N(c2ccccc2)c2cccc(c23)O5)N(c2ccccc2)c2cccc3c2[Ge]7(c2ccc([N+](=O)[O-])cc2)c2c(cccc2O6)O3)cc1.
What is the InChIKey of 4,27-bis(4-nitrophenyl)-34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene?
The InChIKey is KOMXDGLUOYNTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30Ge2N4O8/c61-59(62)35-27-23-31(24-28-35)55-45-37-15-7-17-39(45)65-41-19-9-21-43(47(41)55)67-53-49(55)51(57(37)33-11-3-1-4-12-33)52-50-54(53)68-44-22-10-20-42-48(44)56(50,32-25-29-36(30-26-32)60(63)64)46-38(16-8-18-40(46)66-42)58(52)34-13-5-2-6-14-34/h1-30H.
What are the key properties of 4,27-bis(4-nitrophenyl)-34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene?
4,27-bis(4-nitrophenyl)-34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene has a molecular weight of 1008.07 g/mol, XLogP of 8.25, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,27-bis(4-nitrophenyl)-34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene is sourced from PubChem (CID 140849018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).