13,14,30,31-tetrakis(1H-indol-3-yl)-2,5,8,19,22,25-hexaoxa-12,15,29,32-tetrazapentacyclo[24.8.0.09,18.011,16.028,33]tetratriaconta-1(26),9(18),10,12,14,16,27,29,31,33-decaene

C56H44N8O6 — CID 102488547

IUPAC13,14,30,31-tetrakis(1H-indol-3-yl)-2,5,8,19,22,25-hexaoxa-12,15,29,32-tetrazapentacyclo[24.8.0.09,18.011,16.028,33]tetratriaconta-1(26),9(18),10,12,14,16,27,29,31,33-decaene
SMILESc1ccc2c(-c3nc4cc5c(cc4nc3-c3c[nH]c4ccccc34)OCCOCCOc3cc4nc(-c6c[nH]c7ccccc67)c(-c6c[nH]c7ccccc67)nc4cc3OCCOCCO5)c[nH]c2c1
InChIInChI=1S/C56H44N8O6/c1-5-13-41-33(9-1)37(29-57-41)53-54(38-30-58-42-14-6-2-10-34(38)42)62-46-26-50-49(25-45(46)61-53)67-21-17-65-19-23-69-51-27-47-48(28-52(51)70-24-20-66-18-22-68-50)64-56(40-32-60-44-16-8-4-12-36(40)44)55(63-47)39-31-59-43-15-7-3-11-35(39)43/h1-16,25-32,57-60H,17-24H2
InChIKeySEBVYGASDLYMSH-UHFFFAOYSA-N
MW925.02 g/mol
LogP11.43
Rot. Bonds4

About 13,14,30,31-tetrakis(1H-indol-3-yl)-2,5,8,19,22,25-hexaoxa-12,15,29,32-tetrazapentacyclo[24.8.0.09,18.011,16.028,33]tetratriaconta-1(26),9(18),10,12,14,16,27,29,31,33-decaene

13,14,30,31-tetrakis(1H-indol-3-yl)-2,5,8,19,22,25-hexaoxa-12,15,29,32-tetrazapentacyclo[24.8.0.09,18.011,16.028,33]tetratriaconta-1(26),9(18),10,12,14,16,27,29,31,33-decaene (PubChem CID 102488547) has the molecular formula C56H44N8O6 and a molecular weight of 925.02 g/mol. Its IUPAC name is 13,14,30,31-tetrakis(1H-indol-3-yl)-2,5,8,19,22,25-hexaoxa-12,15,29,32-tetrazapentacyclo[24.8.0.09,18.011,16.028,33]tetratriaconta-1(26),9(18),10,12,14,16,27,29,31,33-decaene.

Molecular Properties

Compound Name13,14,30,31-tetrakis(1H-indol-3-yl)-2,5,8,19,22,25-hexaoxa-12,15,29,32-tetrazapentacyclo[24.8.0.09,18.011,16.028,33]tetratriaconta-1(26),9(18),10,12,14,16,27,29,31,33-decaene
PubChem CID102488547
Molecular FormulaC56H44N8O6
Molecular Weight925.02 g/mol
Exact Mass924.34
IUPAC Name13,14,30,31-tetrakis(1H-indol-3-yl)-2,5,8,19,22,25-hexaoxa-12,15,29,32-tetrazapentacyclo[24.8.0.09,18.011,16.028,33]tetratriaconta-1(26),9(18),10,12,14,16,27,29,31,33-decaene
SMILESc1ccc2c(-c3nc4cc5c(cc4nc3-c3c[nH]c4ccccc34)OCCOCCOc3cc4nc(-c6c[nH]c7ccccc67)c(-c6c[nH]c7ccccc67)nc4cc3OCCOCCO5)c[nH]c2c1
InChIInChI=1S/C56H44N8O6/c1-5-13-41-33(9-1)37(29-57-41)53-54(38-30-58-42-14-6-2-10-34(38)42)62-46-26-50-49(25-45(46)61-53)67-21-17-65-19-23-69-51-27-47-48(28-52(51)70-24-20-66-18-22-68-50)64-56(40-32-60-44-16-8-4-12-36(40)44)55(63-47)39-31-59-43-15-7-3-11-35(39)43/h1-16,25-32,57-60H,17-24H2
InChIKeySEBVYGASDLYMSH-UHFFFAOYSA-N
XLogP11.43
TPSA170.10 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.02
LogP ≤ 511.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 13,14,30,31-tetrakis(1H-indol-3-yl)-2,5,8,19,22,25-hexaoxa-12,15,29,32-tetrazapentacyclo[24.8.0.09,18.011,16.028,33]tetratriaconta-1(26),9(18),10,12,14,16,27,29,31,33-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13,14,30,31-tetrakis(1H-indol-3-yl)-2,5,8,19,22,25-hexaoxa-12,15,29,32-tetrazapentacyclo[24.8.0.09,18.011,16.028,33]tetratriaconta-1(26),9(18),10,12,14,16,27,29,31,33-decaene?
The IUPAC name of 13,14,30,31-tetrakis(1H-indol-3-yl)-2,5,8,19,22,25-hexaoxa-12,15,29,32-tetrazapentacyclo[24.8.0.09,18.011,16.028,33]tetratriaconta-1(26),9(18),10,12,14,16,27,29,31,33-decaene (CID 102488547) is 13,14,30,31-tetrakis(1H-indol-3-yl)-2,5,8,19,22,25-hexaoxa-12,15,29,32-tetrazapentacyclo[24.8.0.09,18.011,16.028,33]tetratriaconta-1(26),9(18),10,12,14,16,27,29,31,33-decaene.
What is the SMILES notation for 13,14,30,31-tetrakis(1H-indol-3-yl)-2,5,8,19,22,25-hexaoxa-12,15,29,32-tetrazapentacyclo[24.8.0.09,18.011,16.028,33]tetratriaconta-1(26),9(18),10,12,14,16,27,29,31,33-decaene?
The canonical SMILES for 13,14,30,31-tetrakis(1H-indol-3-yl)-2,5,8,19,22,25-hexaoxa-12,15,29,32-tetrazapentacyclo[24.8.0.09,18.011,16.028,33]tetratriaconta-1(26),9(18),10,12,14,16,27,29,31,33-decaene is c1ccc2c(-c3nc4cc5c(cc4nc3-c3c[nH]c4ccccc34)OCCOCCOc3cc4nc(-c6c[nH]c7ccccc67)c(-c6c[nH]c7ccccc67)nc4cc3OCCOCCO5)c[nH]c2c1.
What is the InChIKey of 13,14,30,31-tetrakis(1H-indol-3-yl)-2,5,8,19,22,25-hexaoxa-12,15,29,32-tetrazapentacyclo[24.8.0.09,18.011,16.028,33]tetratriaconta-1(26),9(18),10,12,14,16,27,29,31,33-decaene?
The InChIKey is SEBVYGASDLYMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N8O6/c1-5-13-41-33(9-1)37(29-57-41)53-54(38-30-58-42-14-6-2-10-34(38)42)62-46-26-50-49(25-45(46)61-53)67-21-17-65-19-23-69-51-27-47-48(28-52(51)70-24-20-66-18-22-68-50)64-56(40-32-60-44-16-8-4-12-36(40)44)55(63-47)39-31-59-43-15-7-3-11-35(39)43/h1-16,25-32,57-60H,17-24H2.
What are the key properties of 13,14,30,31-tetrakis(1H-indol-3-yl)-2,5,8,19,22,25-hexaoxa-12,15,29,32-tetrazapentacyclo[24.8.0.09,18.011,16.028,33]tetratriaconta-1(26),9(18),10,12,14,16,27,29,31,33-decaene?
13,14,30,31-tetrakis(1H-indol-3-yl)-2,5,8,19,22,25-hexaoxa-12,15,29,32-tetrazapentacyclo[24.8.0.09,18.011,16.028,33]tetratriaconta-1(26),9(18),10,12,14,16,27,29,31,33-decaene has a molecular weight of 925.02 g/mol, XLogP of 11.43, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 13,14,30,31-tetrakis(1H-indol-3-yl)-2,5,8,19,22,25-hexaoxa-12,15,29,32-tetrazapentacyclo[24.8.0.09,18.011,16.028,33]tetratriaconta-1(26),9(18),10,12,14,16,27,29,31,33-decaene is sourced from PubChem (CID 102488547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).