11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene

C38H25N3 — CID 144868483

IUPAC11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene
SMILESCCn1c2ccccc2c2cc3c(cc21)n1c2ccccc2c2cccc(c4cccc5c6ccccc6n3c54)c21
InChIInChI=1S/C38H25N3/c1-2-39-31-18-6-3-13-25(31)30-21-35-36(22-34(30)39)41-33-20-8-5-12-24(33)27-15-10-17-29(38(27)41)28-16-9-14-26-23-11-4-7-19-32(23)40(35)37(26)28/h3-22H,2H2,1H3
InChIKeyPUVWRYZVCCVZSZ-UHFFFAOYSA-N
MW523.64 g/mol
LogP10.09
Rot. Bonds1

About 11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene

11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene (PubChem CID 144868483) has the molecular formula C38H25N3 and a molecular weight of 523.64 g/mol. Its IUPAC name is 11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene.

Molecular Properties

Compound Name11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene
PubChem CID144868483
Molecular FormulaC38H25N3
Molecular Weight523.64 g/mol
Exact Mass523.20
IUPAC Name11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene
SMILESCCn1c2ccccc2c2cc3c(cc21)n1c2ccccc2c2cccc(c4cccc5c6ccccc6n3c54)c21
InChIInChI=1S/C38H25N3/c1-2-39-31-18-6-3-13-25(31)30-21-35-36(22-34(30)39)41-33-20-8-5-12-24(33)27-15-10-17-29(38(27)41)28-16-9-14-26-23-11-4-7-19-32(23)40(35)37(26)28/h3-22H,2H2,1H3
InChIKeyPUVWRYZVCCVZSZ-UHFFFAOYSA-N
XLogP10.09
TPSA13.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.64
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene?
The IUPAC name of 11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene (CID 144868483) is 11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene.
What is the SMILES notation for 11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene?
The canonical SMILES for 11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene is CCn1c2ccccc2c2cc3c(cc21)n1c2ccccc2c2cccc(c4cccc5c6ccccc6n3c54)c21.
What is the InChIKey of 11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene?
The InChIKey is PUVWRYZVCCVZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3/c1-2-39-31-18-6-3-13-25(31)30-21-35-36(22-34(30)39)41-33-20-8-5-12-24(33)27-15-10-17-29(38(27)41)28-16-9-14-26-23-11-4-7-19-32(23)40(35)37(26)28/h3-22H,2H2,1H3.
What are the key properties of 11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene?
11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene has a molecular weight of 523.64 g/mol, XLogP of 10.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene is sourced from PubChem (CID 144868483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).