8,10,24,26-tetratert-butyl-32-methyl-17-phenyl-6,28-dioxa-1,4,30-triazanonacyclo[17.13.1.02,14.05,13.07,12.015,33.020,32.021,29.022,27]tritriaconta-2,4,7(12),8,10,13,15(33),16,18,21(29),22(27),23,25,30-tetradecaene

C51H53N3O2 — CID 167116486

IUPAC8,10,24,26-tetratert-butyl-32-methyl-17-phenyl-6,28-dioxa-1,4,30-triazanonacyclo[17.13.1.02,14.05,13.07,12.015,33.020,32.021,29.022,27]tritriaconta-2,4,7(12),8,10,13,15(33),16,18,21(29),22(27),23,25,30-tetradecaene
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3c(c2c1)C1c2cc(-c4ccccc4)cc4c5c6c(ncc5n(c24)C1(C)C=N3)oc1c(C(C)(C)C)cc(C(C)(C)C)cc16
InChIInChI=1S/C51H53N3O2/c1-47(2,3)29-21-32-39-38-31-19-28(27-17-15-14-16-18-27)20-34-41-40-33-22-30(48(4,5)6)24-36(50(10,11)12)44(33)56-46(40)53-26-51(41,13)54(42(31)34)37(38)25-52-45(39)55-43(32)35(23-29)49(7,8)9/h14-26,41H,1-13H3
InChIKeyGPZRBRGFHJDTJS-UHFFFAOYSA-N
MW740.00 g/mol
LogP14.27
Rot. Bonds1

About 8,10,24,26-tetratert-butyl-32-methyl-17-phenyl-6,28-dioxa-1,4,30-triazanonacyclo[17.13.1.02,14.05,13.07,12.015,33.020,32.021,29.022,27]tritriaconta-2,4,7(12),8,10,13,15(33),16,18,21(29),22(27),23,25,30-tetradecaene

8,10,24,26-tetratert-butyl-32-methyl-17-phenyl-6,28-dioxa-1,4,30-triazanonacyclo[17.13.1.02,14.05,13.07,12.015,33.020,32.021,29.022,27]tritriaconta-2,4,7(12),8,10,13,15(33),16,18,21(29),22(27),23,25,30-tetradecaene (PubChem CID 167116486) has the molecular formula C51H53N3O2 and a molecular weight of 740.00 g/mol. Its IUPAC name is 8,10,24,26-tetratert-butyl-32-methyl-17-phenyl-6,28-dioxa-1,4,30-triazanonacyclo[17.13.1.02,14.05,13.07,12.015,33.020,32.021,29.022,27]tritriaconta-2,4,7(12),8,10,13,15(33),16,18,21(29),22(27),23,25,30-tetradecaene.

Molecular Properties

Compound Name8,10,24,26-tetratert-butyl-32-methyl-17-phenyl-6,28-dioxa-1,4,30-triazanonacyclo[17.13.1.02,14.05,13.07,12.015,33.020,32.021,29.022,27]tritriaconta-2,4,7(12),8,10,13,15(33),16,18,21(29),22(27),23,25,30-tetradecaene
PubChem CID167116486
Molecular FormulaC51H53N3O2
Molecular Weight740.00 g/mol
Exact Mass739.41
IUPAC Name8,10,24,26-tetratert-butyl-32-methyl-17-phenyl-6,28-dioxa-1,4,30-triazanonacyclo[17.13.1.02,14.05,13.07,12.015,33.020,32.021,29.022,27]tritriaconta-2,4,7(12),8,10,13,15(33),16,18,21(29),22(27),23,25,30-tetradecaene
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3c(c2c1)C1c2cc(-c4ccccc4)cc4c5c6c(ncc5n(c24)C1(C)C=N3)oc1c(C(C)(C)C)cc(C(C)(C)C)cc16
InChIInChI=1S/C51H53N3O2/c1-47(2,3)29-21-32-39-38-31-19-28(27-17-15-14-16-18-27)20-34-41-40-33-22-30(48(4,5)6)24-36(50(10,11)12)44(33)56-46(40)53-26-51(41,13)54(42(31)34)37(38)25-52-45(39)55-43(32)35(23-29)49(7,8)9/h14-26,41H,1-13H3
InChIKeyGPZRBRGFHJDTJS-UHFFFAOYSA-N
XLogP14.27
TPSA56.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.00
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8,10,24,26-tetratert-butyl-32-methyl-17-phenyl-6,28-dioxa-1,4,30-triazanonacyclo[17.13.1.02,14.05,13.07,12.015,33.020,32.021,29.022,27]tritriaconta-2,4,7(12),8,10,13,15(33),16,18,21(29),22(27),23,25,30-tetradecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-4-(3-phenylphenyl)-6-[4-(4,6,8-tritert-butyldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 177242681
5,7-ditert-butyl-3-phenyl-1-benzofuran-2-amine
CID 11393088
12-tert-butyl-14-phenyl-9,41,51-trioxa-43,46,49-triazaicosacyclo[53.6.6.17,46.125,29.02,54.04,52.05,50.06,47.08,16.010,15.019,45.020,42.021,40.023,38.024,30.030,37.031,36.056,61.062,67.018,68]nonahexaconta-2(54),3,5,7(68),8(16),10,12,14,17,19,21,23(38),25(69),26,28,31,33,35,39,42,44,47,49,52,56,58,60,62,64,66-triacontaene
CID 164527921
9,19-ditert-butyl-4,5,14,15-tetraphenyl-3,13-dioxahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene
CID 102096706
4,6-ditert-butyl-2,8-diphenyldibenzofuran-1-ol
CID 177242466
3,6-di(carbazol-9-yl)-9-(4,6-ditert-butyl-1,8-diphenyldibenzofuran-2-yl)carbazole
CID 177242402
6,8,21,23-tetratert-butyl-12,27-diphenyl-4,19-dioxa-14,29-diazaoctacyclo[14.14.0.02,14.03,11.05,10.017,29.018,26.020,25]triaconta-1,3(11),5(10),6,8,12,16,18(26),20(25),21,23,27-dodecaene-15,30-dione
CID 118604808
26-(4,6-ditert-butyl-8-phenyldibenzofuran-2-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 177242374
24-tert-butyl-19-pyridin-2-yl-4-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.05,10.016,21.022,26]hexacosa-1(25),2(14),3(11),5,7,9,12,16(21),17,19,22(26),23-dodecaene
CID 168771836
8,10-ditert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine
CID 176821725
5,7-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-18-amine
CID 176821887
2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-[4-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 177242641

Frequently Asked Questions

What is the IUPAC name of 8,10,24,26-tetratert-butyl-32-methyl-17-phenyl-6,28-dioxa-1,4,30-triazanonacyclo[17.13.1.02,14.05,13.07,12.015,33.020,32.021,29.022,27]tritriaconta-2,4,7(12),8,10,13,15(33),16,18,21(29),22(27),23,25,30-tetradecaene?
The IUPAC name of 8,10,24,26-tetratert-butyl-32-methyl-17-phenyl-6,28-dioxa-1,4,30-triazanonacyclo[17.13.1.02,14.05,13.07,12.015,33.020,32.021,29.022,27]tritriaconta-2,4,7(12),8,10,13,15(33),16,18,21(29),22(27),23,25,30-tetradecaene (CID 167116486) is 8,10,24,26-tetratert-butyl-32-methyl-17-phenyl-6,28-dioxa-1,4,30-triazanonacyclo[17.13.1.02,14.05,13.07,12.015,33.020,32.021,29.022,27]tritriaconta-2,4,7(12),8,10,13,15(33),16,18,21(29),22(27),23,25,30-tetradecaene.
What is the SMILES notation for 8,10,24,26-tetratert-butyl-32-methyl-17-phenyl-6,28-dioxa-1,4,30-triazanonacyclo[17.13.1.02,14.05,13.07,12.015,33.020,32.021,29.022,27]tritriaconta-2,4,7(12),8,10,13,15(33),16,18,21(29),22(27),23,25,30-tetradecaene?
The canonical SMILES for 8,10,24,26-tetratert-butyl-32-methyl-17-phenyl-6,28-dioxa-1,4,30-triazanonacyclo[17.13.1.02,14.05,13.07,12.015,33.020,32.021,29.022,27]tritriaconta-2,4,7(12),8,10,13,15(33),16,18,21(29),22(27),23,25,30-tetradecaene is CC(C)(C)c1cc(C(C)(C)C)c2oc3c(c2c1)C1c2cc(-c4ccccc4)cc4c5c6c(ncc5n(c24)C1(C)C=N3)oc1c(C(C)(C)C)cc(C(C)(C)C)cc16.
What is the InChIKey of 8,10,24,26-tetratert-butyl-32-methyl-17-phenyl-6,28-dioxa-1,4,30-triazanonacyclo[17.13.1.02,14.05,13.07,12.015,33.020,32.021,29.022,27]tritriaconta-2,4,7(12),8,10,13,15(33),16,18,21(29),22(27),23,25,30-tetradecaene?
The InChIKey is GPZRBRGFHJDTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H53N3O2/c1-47(2,3)29-21-32-39-38-31-19-28(27-17-15-14-16-18-27)20-34-41-40-33-22-30(48(4,5)6)24-36(50(10,11)12)44(33)56-46(40)53-26-51(41,13)54(42(31)34)37(38)25-52-45(39)55-43(32)35(23-29)49(7,8)9/h14-26,41H,1-13H3.
What are the key properties of 8,10,24,26-tetratert-butyl-32-methyl-17-phenyl-6,28-dioxa-1,4,30-triazanonacyclo[17.13.1.02,14.05,13.07,12.015,33.020,32.021,29.022,27]tritriaconta-2,4,7(12),8,10,13,15(33),16,18,21(29),22(27),23,25,30-tetradecaene?
8,10,24,26-tetratert-butyl-32-methyl-17-phenyl-6,28-dioxa-1,4,30-triazanonacyclo[17.13.1.02,14.05,13.07,12.015,33.020,32.021,29.022,27]tritriaconta-2,4,7(12),8,10,13,15(33),16,18,21(29),22(27),23,25,30-tetradecaene has a molecular weight of 740.00 g/mol, XLogP of 14.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10,24,26-tetratert-butyl-32-methyl-17-phenyl-6,28-dioxa-1,4,30-triazanonacyclo[17.13.1.02,14.05,13.07,12.015,33.020,32.021,29.022,27]tritriaconta-2,4,7(12),8,10,13,15(33),16,18,21(29),22(27),23,25,30-tetradecaene is sourced from PubChem (CID 167116486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).