10,16,23,29-tetratert-butyl-1,6-diazaundecacyclo[19.11.1.16,14.02,20.03,31.04,8.05,19.07,12.025,33.027,32.018,34]tetratriaconta-2(20),3,5(19),7,9,11,14,16,18(34),21(33),22,24,27,29,31-pentadecaene-13,26-dione

C48H44N2O2 — CID 155929737

IUPAC10,16,23,29-tetratert-butyl-1,6-diazaundecacyclo[19.11.1.16,14.02,20.03,31.04,8.05,19.07,12.025,33.027,32.018,34]tetratriaconta-2(20),3,5(19),7,9,11,14,16,18(34),21(33),22,24,27,29,31-pentadecaene-13,26-dione
SMILESCC(C)(C)c1cc2c(=O)c3cc(C(C)(C)C)cc4c5c6c7cc(C(C)(C)C)cc8c(=O)c9cc(C(C)(C)C)cc%10c(c%11c(c1)c2n(c34)c%115)c6n(c9%10)c87
InChIInChI=1S/C48H44N2O2/c1-45(2,3)21-13-25-33-34-26-14-23(47(7,8)9)19-31-39(26)50-40-28(16-24(48(10,11)12)20-32(40)44(31)52)36(42(34)50)35-27-15-22(46(4,5)6)18-30-38(27)49(41(33)35)37(25)29(17-21)43(30)51/h13-20H,1-12H3
InChIKeyPKZADMOCLSZLLX-UHFFFAOYSA-N
MW680.89 g/mol
LogP11.95
Rot. Bonds

About 10,16,23,29-tetratert-butyl-1,6-diazaundecacyclo[19.11.1.16,14.02,20.03,31.04,8.05,19.07,12.025,33.027,32.018,34]tetratriaconta-2(20),3,5(19),7,9,11,14,16,18(34),21(33),22,24,27,29,31-pentadecaene-13,26-dione

10,16,23,29-tetratert-butyl-1,6-diazaundecacyclo[19.11.1.16,14.02,20.03,31.04,8.05,19.07,12.025,33.027,32.018,34]tetratriaconta-2(20),3,5(19),7,9,11,14,16,18(34),21(33),22,24,27,29,31-pentadecaene-13,26-dione (PubChem CID 155929737) has the molecular formula C48H44N2O2 and a molecular weight of 680.89 g/mol. Its IUPAC name is 10,16,23,29-tetratert-butyl-1,6-diazaundecacyclo[19.11.1.16,14.02,20.03,31.04,8.05,19.07,12.025,33.027,32.018,34]tetratriaconta-2(20),3,5(19),7,9,11,14,16,18(34),21(33),22,24,27,29,31-pentadecaene-13,26-dione.

Molecular Properties

Compound Name10,16,23,29-tetratert-butyl-1,6-diazaundecacyclo[19.11.1.16,14.02,20.03,31.04,8.05,19.07,12.025,33.027,32.018,34]tetratriaconta-2(20),3,5(19),7,9,11,14,16,18(34),21(33),22,24,27,29,31-pentadecaene-13,26-dione
PubChem CID155929737
Molecular FormulaC48H44N2O2
Molecular Weight680.89 g/mol
Exact Mass680.34
IUPAC Name10,16,23,29-tetratert-butyl-1,6-diazaundecacyclo[19.11.1.16,14.02,20.03,31.04,8.05,19.07,12.025,33.027,32.018,34]tetratriaconta-2(20),3,5(19),7,9,11,14,16,18(34),21(33),22,24,27,29,31-pentadecaene-13,26-dione
SMILESCC(C)(C)c1cc2c(=O)c3cc(C(C)(C)C)cc4c5c6c7cc(C(C)(C)C)cc8c(=O)c9cc(C(C)(C)C)cc%10c(c%11c(c1)c2n(c34)c%115)c6n(c9%10)c87
InChIInChI=1S/C48H44N2O2/c1-45(2,3)21-13-25-33-34-26-14-23(47(7,8)9)19-31-39(26)50-40-28(16-24(48(10,11)12)20-32(40)44(31)52)36(42(34)50)35-27-15-22(46(4,5)6)18-30-38(27)49(41(33)35)37(25)29(17-21)43(30)51/h13-20H,1-12H3
InChIKeyPKZADMOCLSZLLX-UHFFFAOYSA-N
XLogP11.95
TPSA42.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.89
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 10,16,23,29-tetratert-butyl-1,6-diazaundecacyclo[19.11.1.16,14.02,20.03,31.04,8.05,19.07,12.025,33.027,32.018,34]tetratriaconta-2(20),3,5(19),7,9,11,14,16,18(34),21(33),22,24,27,29,31-pentadecaene-13,26-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,16,23,29-tetratert-butyl-1,6-diazaundecacyclo[19.11.1.16,14.02,20.03,31.04,8.05,19.07,12.025,33.027,32.018,34]tetratriaconta-2(20),3,5(19),7,9,11,14,16,18(34),21(33),22,24,27,29,31-pentadecaene-13,26-dione?
The IUPAC name of 10,16,23,29-tetratert-butyl-1,6-diazaundecacyclo[19.11.1.16,14.02,20.03,31.04,8.05,19.07,12.025,33.027,32.018,34]tetratriaconta-2(20),3,5(19),7,9,11,14,16,18(34),21(33),22,24,27,29,31-pentadecaene-13,26-dione (CID 155929737) is 10,16,23,29-tetratert-butyl-1,6-diazaundecacyclo[19.11.1.16,14.02,20.03,31.04,8.05,19.07,12.025,33.027,32.018,34]tetratriaconta-2(20),3,5(19),7,9,11,14,16,18(34),21(33),22,24,27,29,31-pentadecaene-13,26-dione.
What is the SMILES notation for 10,16,23,29-tetratert-butyl-1,6-diazaundecacyclo[19.11.1.16,14.02,20.03,31.04,8.05,19.07,12.025,33.027,32.018,34]tetratriaconta-2(20),3,5(19),7,9,11,14,16,18(34),21(33),22,24,27,29,31-pentadecaene-13,26-dione?
The canonical SMILES for 10,16,23,29-tetratert-butyl-1,6-diazaundecacyclo[19.11.1.16,14.02,20.03,31.04,8.05,19.07,12.025,33.027,32.018,34]tetratriaconta-2(20),3,5(19),7,9,11,14,16,18(34),21(33),22,24,27,29,31-pentadecaene-13,26-dione is CC(C)(C)c1cc2c(=O)c3cc(C(C)(C)C)cc4c5c6c7cc(C(C)(C)C)cc8c(=O)c9cc(C(C)(C)C)cc%10c(c%11c(c1)c2n(c34)c%115)c6n(c9%10)c87.
What is the InChIKey of 10,16,23,29-tetratert-butyl-1,6-diazaundecacyclo[19.11.1.16,14.02,20.03,31.04,8.05,19.07,12.025,33.027,32.018,34]tetratriaconta-2(20),3,5(19),7,9,11,14,16,18(34),21(33),22,24,27,29,31-pentadecaene-13,26-dione?
The InChIKey is PKZADMOCLSZLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H44N2O2/c1-45(2,3)21-13-25-33-34-26-14-23(47(7,8)9)19-31-39(26)50-40-28(16-24(48(10,11)12)20-32(40)44(31)52)36(42(34)50)35-27-15-22(46(4,5)6)18-30-38(27)49(41(33)35)37(25)29(17-21)43(30)51/h13-20H,1-12H3.
What are the key properties of 10,16,23,29-tetratert-butyl-1,6-diazaundecacyclo[19.11.1.16,14.02,20.03,31.04,8.05,19.07,12.025,33.027,32.018,34]tetratriaconta-2(20),3,5(19),7,9,11,14,16,18(34),21(33),22,24,27,29,31-pentadecaene-13,26-dione?
10,16,23,29-tetratert-butyl-1,6-diazaundecacyclo[19.11.1.16,14.02,20.03,31.04,8.05,19.07,12.025,33.027,32.018,34]tetratriaconta-2(20),3,5(19),7,9,11,14,16,18(34),21(33),22,24,27,29,31-pentadecaene-13,26-dione has a molecular weight of 680.89 g/mol, XLogP of 11.95, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,16,23,29-tetratert-butyl-1,6-diazaundecacyclo[19.11.1.16,14.02,20.03,31.04,8.05,19.07,12.025,33.027,32.018,34]tetratriaconta-2(20),3,5(19),7,9,11,14,16,18(34),21(33),22,24,27,29,31-pentadecaene-13,26-dione is sourced from PubChem (CID 155929737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).