1,19,24,24,33,33-hexamethyl-6,14,38,39,40,41,42-heptazaheptacyclo[17.9.9.18,12.120,23.125,28.129,32.134,37]dotetraconta-8(42),9,11,20,22,25,27,29,31,34,36-undecaene-7,13-dione

C41H51N7O2 — CID 155510380

IUPAC1,19,24,24,33,33-hexamethyl-6,14,38,39,40,41,42-heptazaheptacyclo[17.9.9.18,12.120,23.125,28.129,32.134,37]dotetraconta-8(42),9,11,20,22,25,27,29,31,34,36-undecaene-7,13-dione
SMILESCC1(C)c2ccc([nH]2)C2(C)CCCCNC(=O)c3cccc(n3)C(=O)NCCCCC(C)(c3ccc1[nH]3)c1ccc([nH]1)C(C)(C)c1ccc2[nH]1
InChIInChI=1S/C41H51N7O2/c1-38(2)28-14-18-32(45-28)40(5)22-7-9-24-42-36(49)26-12-11-13-27(44-26)37(50)43-25-10-8-23-41(6,33-19-15-29(38)46-33)35-21-17-31(48-35)39(3,4)30-16-20-34(40)47-30/h11-21,45-48H,7-10,22-25H2,1-6H3,(H,42,49)(H,43,50)
InChIKeyDYLBCZMTFNJUHG-UHFFFAOYSA-N
MW673.91 g/mol
LogP7.49
Rot. Bonds

About 1,19,24,24,33,33-hexamethyl-6,14,38,39,40,41,42-heptazaheptacyclo[17.9.9.18,12.120,23.125,28.129,32.134,37]dotetraconta-8(42),9,11,20,22,25,27,29,31,34,36-undecaene-7,13-dione

1,19,24,24,33,33-hexamethyl-6,14,38,39,40,41,42-heptazaheptacyclo[17.9.9.18,12.120,23.125,28.129,32.134,37]dotetraconta-8(42),9,11,20,22,25,27,29,31,34,36-undecaene-7,13-dione (PubChem CID 155510380) has the molecular formula C41H51N7O2 and a molecular weight of 673.91 g/mol. Its IUPAC name is 1,19,24,24,33,33-hexamethyl-6,14,38,39,40,41,42-heptazaheptacyclo[17.9.9.18,12.120,23.125,28.129,32.134,37]dotetraconta-8(42),9,11,20,22,25,27,29,31,34,36-undecaene-7,13-dione.

Molecular Properties

Compound Name1,19,24,24,33,33-hexamethyl-6,14,38,39,40,41,42-heptazaheptacyclo[17.9.9.18,12.120,23.125,28.129,32.134,37]dotetraconta-8(42),9,11,20,22,25,27,29,31,34,36-undecaene-7,13-dione
PubChem CID155510380
Molecular FormulaC41H51N7O2
Molecular Weight673.91 g/mol
Exact Mass673.41
IUPAC Name1,19,24,24,33,33-hexamethyl-6,14,38,39,40,41,42-heptazaheptacyclo[17.9.9.18,12.120,23.125,28.129,32.134,37]dotetraconta-8(42),9,11,20,22,25,27,29,31,34,36-undecaene-7,13-dione
SMILESCC1(C)c2ccc([nH]2)C2(C)CCCCNC(=O)c3cccc(n3)C(=O)NCCCCC(C)(c3ccc1[nH]3)c1ccc([nH]1)C(C)(C)c1ccc2[nH]1
InChIInChI=1S/C41H51N7O2/c1-38(2)28-14-18-32(45-28)40(5)22-7-9-24-42-36(49)26-12-11-13-27(44-26)37(50)43-25-10-8-23-41(6,33-19-15-29(38)46-33)35-21-17-31(48-35)39(3,4)30-16-20-34(40)47-30/h11-21,45-48H,7-10,22-25H2,1-6H3,(H,42,49)(H,43,50)
InChIKeyDYLBCZMTFNJUHG-UHFFFAOYSA-N
XLogP7.49
TPSA134.25 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500673.91
LogP ≤ 57.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

Analyze 1,19,24,24,33,33-hexamethyl-6,14,38,39,40,41,42-heptazaheptacyclo[17.9.9.18,12.120,23.125,28.129,32.134,37]dotetraconta-8(42),9,11,20,22,25,27,29,31,34,36-undecaene-7,13-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,19,24,24,33,33-hexamethyl-6,14,38,39,40,41,42-heptazaheptacyclo[17.9.9.18,12.120,23.125,28.129,32.134,37]dotetraconta-8(42),9,11,20,22,25,27,29,31,34,36-undecaene-7,13-dione?
The IUPAC name of 1,19,24,24,33,33-hexamethyl-6,14,38,39,40,41,42-heptazaheptacyclo[17.9.9.18,12.120,23.125,28.129,32.134,37]dotetraconta-8(42),9,11,20,22,25,27,29,31,34,36-undecaene-7,13-dione (CID 155510380) is 1,19,24,24,33,33-hexamethyl-6,14,38,39,40,41,42-heptazaheptacyclo[17.9.9.18,12.120,23.125,28.129,32.134,37]dotetraconta-8(42),9,11,20,22,25,27,29,31,34,36-undecaene-7,13-dione.
What is the SMILES notation for 1,19,24,24,33,33-hexamethyl-6,14,38,39,40,41,42-heptazaheptacyclo[17.9.9.18,12.120,23.125,28.129,32.134,37]dotetraconta-8(42),9,11,20,22,25,27,29,31,34,36-undecaene-7,13-dione?
The canonical SMILES for 1,19,24,24,33,33-hexamethyl-6,14,38,39,40,41,42-heptazaheptacyclo[17.9.9.18,12.120,23.125,28.129,32.134,37]dotetraconta-8(42),9,11,20,22,25,27,29,31,34,36-undecaene-7,13-dione is CC1(C)c2ccc([nH]2)C2(C)CCCCNC(=O)c3cccc(n3)C(=O)NCCCCC(C)(c3ccc1[nH]3)c1ccc([nH]1)C(C)(C)c1ccc2[nH]1.
What is the InChIKey of 1,19,24,24,33,33-hexamethyl-6,14,38,39,40,41,42-heptazaheptacyclo[17.9.9.18,12.120,23.125,28.129,32.134,37]dotetraconta-8(42),9,11,20,22,25,27,29,31,34,36-undecaene-7,13-dione?
The InChIKey is DYLBCZMTFNJUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H51N7O2/c1-38(2)28-14-18-32(45-28)40(5)22-7-9-24-42-36(49)26-12-11-13-27(44-26)37(50)43-25-10-8-23-41(6,33-19-15-29(38)46-33)35-21-17-31(48-35)39(3,4)30-16-20-34(40)47-30/h11-21,45-48H,7-10,22-25H2,1-6H3,(H,42,49)(H,43,50).
What are the key properties of 1,19,24,24,33,33-hexamethyl-6,14,38,39,40,41,42-heptazaheptacyclo[17.9.9.18,12.120,23.125,28.129,32.134,37]dotetraconta-8(42),9,11,20,22,25,27,29,31,34,36-undecaene-7,13-dione?
1,19,24,24,33,33-hexamethyl-6,14,38,39,40,41,42-heptazaheptacyclo[17.9.9.18,12.120,23.125,28.129,32.134,37]dotetraconta-8(42),9,11,20,22,25,27,29,31,34,36-undecaene-7,13-dione has a molecular weight of 673.91 g/mol, XLogP of 7.49, 0 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,19,24,24,33,33-hexamethyl-6,14,38,39,40,41,42-heptazaheptacyclo[17.9.9.18,12.120,23.125,28.129,32.134,37]dotetraconta-8(42),9,11,20,22,25,27,29,31,34,36-undecaene-7,13-dione is sourced from PubChem (CID 155510380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).