31-tert-butyl-2,11,13,14,16,25,37,38,39,40-decazanonacyclo[24.10.1.13,10.112,15.117,24.04,9.018,23.027,36.029,34]tetraconta-1,3(40),4,6,8,10,12(39),15,17(38),18,20,22,24,26(37),27(36),28,30,32,34-nonadecaene

C34H24N10 — CID 10675468

IUPAC31-tert-butyl-2,11,13,14,16,25,37,38,39,40-decazanonacyclo[24.10.1.13,10.112,15.117,24.04,9.018,23.027,36.029,34]tetraconta-1,3(40),4,6,8,10,12(39),15,17(38),18,20,22,24,26(37),27(36),28,30,32,34-nonadecaene
SMILESCC(C)(C)c1ccc2cc3c(cc2c1)C1=N/C3=N\C2=N/C(=N/C3=N/C(=N/C4=N/C(=N/1)c1ccccc14)NN3)c1ccccc12
InChIInChI=1S/C34H24N10/c1-34(2,3)19-13-12-17-15-24-25(16-18(17)14-19)31-38-27-21-9-5-7-11-23(21)29(36-27)41-33-42-32(43-44-33)40-28-22-10-6-4-8-20(22)26(35-28)37-30(24)39-31/h4-16H,1-3H3,(H2,35,36,37,38,39,40,41,42,43,44)
InChIKeyJZXFSOLOMQWAHJ-UHFFFAOYSA-N
MW572.64 g/mol
LogP4.89
Rot. Bonds

About 31-tert-butyl-2,11,13,14,16,25,37,38,39,40-decazanonacyclo[24.10.1.13,10.112,15.117,24.04,9.018,23.027,36.029,34]tetraconta-1,3(40),4,6,8,10,12(39),15,17(38),18,20,22,24,26(37),27(36),28,30,32,34-nonadecaene

31-tert-butyl-2,11,13,14,16,25,37,38,39,40-decazanonacyclo[24.10.1.13,10.112,15.117,24.04,9.018,23.027,36.029,34]tetraconta-1,3(40),4,6,8,10,12(39),15,17(38),18,20,22,24,26(37),27(36),28,30,32,34-nonadecaene (PubChem CID 10675468) has the molecular formula C34H24N10 and a molecular weight of 572.64 g/mol. Its IUPAC name is 31-tert-butyl-2,11,13,14,16,25,37,38,39,40-decazanonacyclo[24.10.1.13,10.112,15.117,24.04,9.018,23.027,36.029,34]tetraconta-1,3(40),4,6,8,10,12(39),15,17(38),18,20,22,24,26(37),27(36),28,30,32,34-nonadecaene.

Molecular Properties

Compound Name31-tert-butyl-2,11,13,14,16,25,37,38,39,40-decazanonacyclo[24.10.1.13,10.112,15.117,24.04,9.018,23.027,36.029,34]tetraconta-1,3(40),4,6,8,10,12(39),15,17(38),18,20,22,24,26(37),27(36),28,30,32,34-nonadecaene
PubChem CID10675468
Molecular FormulaC34H24N10
Molecular Weight572.64 g/mol
Exact Mass572.22
IUPAC Name31-tert-butyl-2,11,13,14,16,25,37,38,39,40-decazanonacyclo[24.10.1.13,10.112,15.117,24.04,9.018,23.027,36.029,34]tetraconta-1,3(40),4,6,8,10,12(39),15,17(38),18,20,22,24,26(37),27(36),28,30,32,34-nonadecaene
SMILESCC(C)(C)c1ccc2cc3c(cc2c1)C1=N/C3=N\C2=N/C(=N/C3=N/C(=N/C4=N/C(=N/1)c1ccccc14)NN3)c1ccccc12
InChIInChI=1S/C34H24N10/c1-34(2,3)19-13-12-17-15-24-25(16-18(17)14-19)31-38-27-21-9-5-7-11-23(21)29(36-27)41-33-42-32(43-44-33)40-28-22-10-6-4-8-20(22)26(35-28)37-30(24)39-31/h4-16H,1-3H3,(H2,35,36,37,38,39,40,41,42,43,44)
InChIKeyJZXFSOLOMQWAHJ-UHFFFAOYSA-N
XLogP4.89
TPSA122.94 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.64
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 31-tert-butyl-2,11,13,14,16,25,37,38,39,40-decazanonacyclo[24.10.1.13,10.112,15.117,24.04,9.018,23.027,36.029,34]tetraconta-1,3(40),4,6,8,10,12(39),15,17(38),18,20,22,24,26(37),27(36),28,30,32,34-nonadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 31-tert-butyl-2,11,13,14,16,25,37,38,39,40-decazanonacyclo[24.10.1.13,10.112,15.117,24.04,9.018,23.027,36.029,34]tetraconta-1,3(40),4,6,8,10,12(39),15,17(38),18,20,22,24,26(37),27(36),28,30,32,34-nonadecaene?
The IUPAC name of 31-tert-butyl-2,11,13,14,16,25,37,38,39,40-decazanonacyclo[24.10.1.13,10.112,15.117,24.04,9.018,23.027,36.029,34]tetraconta-1,3(40),4,6,8,10,12(39),15,17(38),18,20,22,24,26(37),27(36),28,30,32,34-nonadecaene (CID 10675468) is 31-tert-butyl-2,11,13,14,16,25,37,38,39,40-decazanonacyclo[24.10.1.13,10.112,15.117,24.04,9.018,23.027,36.029,34]tetraconta-1,3(40),4,6,8,10,12(39),15,17(38),18,20,22,24,26(37),27(36),28,30,32,34-nonadecaene.
What is the SMILES notation for 31-tert-butyl-2,11,13,14,16,25,37,38,39,40-decazanonacyclo[24.10.1.13,10.112,15.117,24.04,9.018,23.027,36.029,34]tetraconta-1,3(40),4,6,8,10,12(39),15,17(38),18,20,22,24,26(37),27(36),28,30,32,34-nonadecaene?
The canonical SMILES for 31-tert-butyl-2,11,13,14,16,25,37,38,39,40-decazanonacyclo[24.10.1.13,10.112,15.117,24.04,9.018,23.027,36.029,34]tetraconta-1,3(40),4,6,8,10,12(39),15,17(38),18,20,22,24,26(37),27(36),28,30,32,34-nonadecaene is CC(C)(C)c1ccc2cc3c(cc2c1)C1=N/C3=N\C2=N/C(=N/C3=N/C(=N/C4=N/C(=N/1)c1ccccc14)NN3)c1ccccc12.
What is the InChIKey of 31-tert-butyl-2,11,13,14,16,25,37,38,39,40-decazanonacyclo[24.10.1.13,10.112,15.117,24.04,9.018,23.027,36.029,34]tetraconta-1,3(40),4,6,8,10,12(39),15,17(38),18,20,22,24,26(37),27(36),28,30,32,34-nonadecaene?
The InChIKey is JZXFSOLOMQWAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N10/c1-34(2,3)19-13-12-17-15-24-25(16-18(17)14-19)31-38-27-21-9-5-7-11-23(21)29(36-27)41-33-42-32(43-44-33)40-28-22-10-6-4-8-20(22)26(35-28)37-30(24)39-31/h4-16H,1-3H3,(H2,35,36,37,38,39,40,41,42,43,44).
What are the key properties of 31-tert-butyl-2,11,13,14,16,25,37,38,39,40-decazanonacyclo[24.10.1.13,10.112,15.117,24.04,9.018,23.027,36.029,34]tetraconta-1,3(40),4,6,8,10,12(39),15,17(38),18,20,22,24,26(37),27(36),28,30,32,34-nonadecaene?
31-tert-butyl-2,11,13,14,16,25,37,38,39,40-decazanonacyclo[24.10.1.13,10.112,15.117,24.04,9.018,23.027,36.029,34]tetraconta-1,3(40),4,6,8,10,12(39),15,17(38),18,20,22,24,26(37),27(36),28,30,32,34-nonadecaene has a molecular weight of 572.64 g/mol, XLogP of 4.89, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 31-tert-butyl-2,11,13,14,16,25,37,38,39,40-decazanonacyclo[24.10.1.13,10.112,15.117,24.04,9.018,23.027,36.029,34]tetraconta-1,3(40),4,6,8,10,12(39),15,17(38),18,20,22,24,26(37),27(36),28,30,32,34-nonadecaene is sourced from PubChem (CID 10675468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).