5,13,21,29-tetratert-butyl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10(15),11,13,17,19(24),20,22,26(31),27,29-pentadecaene

C46H48N2O2 — CID 172539511

IUPAC5,13,21,29-tetratert-butyl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10(15),11,13,17,19(24),20,22,26(31),27,29-pentadecaene
SMILESCC(C)(C)c1ccc2c(c1)oc1c3c4cc(C(C)(C)C)ccc4n4c5ccc(C(C)(C)C)cc5oc(c5c6cc(C(C)(C)C)ccc6n2c15)c34
InChIInChI=1S/C46H48N2O2/c1-43(2,3)25-13-17-31-29(21-25)37-39-42(50-35-23-27(45(7,8)9)15-19-33(35)47(31)39)38-30-22-26(44(4,5)6)14-18-32(30)48-34-20-16-28(46(10,11)12)24-36(34)49-41(37)40(38)48/h13-24H,1-12H3
InChIKeyMVXHAFBWLAZWNS-UHFFFAOYSA-N
MW660.90 g/mol
LogP13.49
Rot. Bonds

About 5,13,21,29-tetratert-butyl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10(15),11,13,17,19(24),20,22,26(31),27,29-pentadecaene

5,13,21,29-tetratert-butyl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10(15),11,13,17,19(24),20,22,26(31),27,29-pentadecaene (PubChem CID 172539511) has the molecular formula C46H48N2O2 and a molecular weight of 660.90 g/mol. Its IUPAC name is 5,13,21,29-tetratert-butyl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10(15),11,13,17,19(24),20,22,26(31),27,29-pentadecaene.

Molecular Properties

Compound Name5,13,21,29-tetratert-butyl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10(15),11,13,17,19(24),20,22,26(31),27,29-pentadecaene
PubChem CID172539511
Molecular FormulaC46H48N2O2
Molecular Weight660.90 g/mol
Exact Mass660.37
IUPAC Name5,13,21,29-tetratert-butyl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10(15),11,13,17,19(24),20,22,26(31),27,29-pentadecaene
SMILESCC(C)(C)c1ccc2c(c1)oc1c3c4cc(C(C)(C)C)ccc4n4c5ccc(C(C)(C)C)cc5oc(c5c6cc(C(C)(C)C)ccc6n2c15)c34
InChIInChI=1S/C46H48N2O2/c1-43(2,3)25-13-17-31-29(21-25)37-39-42(50-35-23-27(45(7,8)9)15-19-33(35)47(31)39)38-30-22-26(44(4,5)6)14-18-32(30)48-34-20-16-28(46(10,11)12)24-36(34)49-41(37)40(38)48/h13-24H,1-12H3
InChIKeyMVXHAFBWLAZWNS-UHFFFAOYSA-N
XLogP13.49
TPSA35.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.90
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,13,21,29-tetratert-butyl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10(15),11,13,17,19(24),20,22,26(31),27,29-pentadecaene with MolForge

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Related Compounds

5,21-ditert-butyl-14,30-bis(2-phenylphenyl)-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene
CID 172539505
6,11,18,23-tetratert-butyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15(20),16,18,21(25),22-dodecaene
CID 171595251
5,10-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 102489233
6,15,24-tritert-butyl-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 163848105
9,24-ditert-butyl-13,28-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene
CID 155399071
23,48-ditert-butyl-8,33-dioxa-3,17,19,28,42,44-hexazapentadecacyclo[25.23.1.12,19.03,18.04,16.07,15.09,14.020,25.028,43.029,41.032,40.034,39.044,51.045,50.026,52]dopentaconta-1,4(16),5,7(15),9,11,13,17,20(25),21,23,26(52),27(51),29(41),30,32(40),34,36,38,42,45(50),46,48-tricosaene
CID 163929722
6-tert-butyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene
CID 176726906
9,24-ditert-butyl-13-N,28-N-di(dibenzofuran-3-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine
CID 167343468
9,24-ditert-butyl-15-N,15-N,30-N,30-N-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-15,30-diamine
CID 167343573
CID 164803260
CID 164803260
2,8-ditert-butyldibenzofuran
CID 14914466
4-(3,6-ditert-butylcarbazol-9-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene
CID 177115147

Frequently Asked Questions

What is the IUPAC name of 5,13,21,29-tetratert-butyl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10(15),11,13,17,19(24),20,22,26(31),27,29-pentadecaene?
The IUPAC name of 5,13,21,29-tetratert-butyl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10(15),11,13,17,19(24),20,22,26(31),27,29-pentadecaene (CID 172539511) is 5,13,21,29-tetratert-butyl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10(15),11,13,17,19(24),20,22,26(31),27,29-pentadecaene.
What is the SMILES notation for 5,13,21,29-tetratert-butyl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10(15),11,13,17,19(24),20,22,26(31),27,29-pentadecaene?
The canonical SMILES for 5,13,21,29-tetratert-butyl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10(15),11,13,17,19(24),20,22,26(31),27,29-pentadecaene is CC(C)(C)c1ccc2c(c1)oc1c3c4cc(C(C)(C)C)ccc4n4c5ccc(C(C)(C)C)cc5oc(c5c6cc(C(C)(C)C)ccc6n2c15)c34.
What is the InChIKey of 5,13,21,29-tetratert-butyl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10(15),11,13,17,19(24),20,22,26(31),27,29-pentadecaene?
The InChIKey is MVXHAFBWLAZWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N2O2/c1-43(2,3)25-13-17-31-29(21-25)37-39-42(50-35-23-27(45(7,8)9)15-19-33(35)47(31)39)38-30-22-26(44(4,5)6)14-18-32(30)48-34-20-16-28(46(10,11)12)24-36(34)49-41(37)40(38)48/h13-24H,1-12H3.
What are the key properties of 5,13,21,29-tetratert-butyl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10(15),11,13,17,19(24),20,22,26(31),27,29-pentadecaene?
5,13,21,29-tetratert-butyl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10(15),11,13,17,19(24),20,22,26(31),27,29-pentadecaene has a molecular weight of 660.90 g/mol, XLogP of 13.49, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,13,21,29-tetratert-butyl-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10(15),11,13,17,19(24),20,22,26(31),27,29-pentadecaene is sourced from PubChem (CID 172539511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).