1,6,6,11,14,24,27,38,41,51-decamethyl-16,19,22,43,46,49-hexazanonadecacyclo[49.2.2.211,14.224,27.238,41.14,46.18,30.02,50.03,47.05,33.07,32.09,18.010,15.020,29.023,28.036,45.037,42.019,59.035,56]trihexaconta-2,4(56),5(33),7(32),8(59),9,15,17,20,22,28,30,34,36,42,44,47,49-octadecaene

C67H68N6 — CID 171402664

IUPAC1,6,6,11,14,24,27,38,41,51-decamethyl-16,19,22,43,46,49-hexazanonadecacyclo[49.2.2.211,14.224,27.238,41.14,46.18,30.02,50.03,47.05,33.07,32.09,18.010,15.020,29.023,28.036,45.037,42.019,59.035,56]trihexaconta-2,4(56),5(33),7(32),8(59),9,15,17,20,22,28,30,34,36,42,44,47,49-octadecaene
SMILESCC12CCC(C)(CC1)c1c2ncc2c1c1cc3c(c4c5c6c(ncc5n2c14)C1(C)CCC6(C)CC1)C(C)(C)c1c-3cc2c3c4c(ncc3n3c5cnc6c(c5c1c23)C1(C)CCC6(C)CC1)C1(C)CCC4(C)CC1
InChIInChI=1S/C67H68N6/c1-59(2)47-33(27-35-41-37(29-68-55-49(41)60(3)11-19-64(55,7)20-12-60)72-39-31-70-57-51(43(39)45(47)53(35)72)62(5)15-23-66(57,9)24-16-62)34-28-36-42-38(30-69-56-50(42)61(4)13-21-65(56,8)22-14-61)73-40-32-71-58-52(44(40)46(48(34)59)54(36)73)63(6)17-25-67(58,10)26-18-63/h27-32H,11-26H2,1-10H3
InChIKeyZCBNBZGFWYGIBZ-UHFFFAOYSA-N
MW957.32 g/mol
LogP16.29
Rot. Bonds

About 1,6,6,11,14,24,27,38,41,51-decamethyl-16,19,22,43,46,49-hexazanonadecacyclo[49.2.2.211,14.224,27.238,41.14,46.18,30.02,50.03,47.05,33.07,32.09,18.010,15.020,29.023,28.036,45.037,42.019,59.035,56]trihexaconta-2,4(56),5(33),7(32),8(59),9,15,17,20,22,28,30,34,36,42,44,47,49-octadecaene

1,6,6,11,14,24,27,38,41,51-decamethyl-16,19,22,43,46,49-hexazanonadecacyclo[49.2.2.211,14.224,27.238,41.14,46.18,30.02,50.03,47.05,33.07,32.09,18.010,15.020,29.023,28.036,45.037,42.019,59.035,56]trihexaconta-2,4(56),5(33),7(32),8(59),9,15,17,20,22,28,30,34,36,42,44,47,49-octadecaene (PubChem CID 171402664) has the molecular formula C67H68N6 and a molecular weight of 957.32 g/mol. Its IUPAC name is 1,6,6,11,14,24,27,38,41,51-decamethyl-16,19,22,43,46,49-hexazanonadecacyclo[49.2.2.211,14.224,27.238,41.14,46.18,30.02,50.03,47.05,33.07,32.09,18.010,15.020,29.023,28.036,45.037,42.019,59.035,56]trihexaconta-2,4(56),5(33),7(32),8(59),9,15,17,20,22,28,30,34,36,42,44,47,49-octadecaene.

Molecular Properties

Compound Name1,6,6,11,14,24,27,38,41,51-decamethyl-16,19,22,43,46,49-hexazanonadecacyclo[49.2.2.211,14.224,27.238,41.14,46.18,30.02,50.03,47.05,33.07,32.09,18.010,15.020,29.023,28.036,45.037,42.019,59.035,56]trihexaconta-2,4(56),5(33),7(32),8(59),9,15,17,20,22,28,30,34,36,42,44,47,49-octadecaene
PubChem CID171402664
Molecular FormulaC67H68N6
Molecular Weight957.32 g/mol
Exact Mass956.55
IUPAC Name1,6,6,11,14,24,27,38,41,51-decamethyl-16,19,22,43,46,49-hexazanonadecacyclo[49.2.2.211,14.224,27.238,41.14,46.18,30.02,50.03,47.05,33.07,32.09,18.010,15.020,29.023,28.036,45.037,42.019,59.035,56]trihexaconta-2,4(56),5(33),7(32),8(59),9,15,17,20,22,28,30,34,36,42,44,47,49-octadecaene
SMILESCC12CCC(C)(CC1)c1c2ncc2c1c1cc3c(c4c5c6c(ncc5n2c14)C1(C)CCC6(C)CC1)C(C)(C)c1c-3cc2c3c4c(ncc3n3c5cnc6c(c5c1c23)C1(C)CCC6(C)CC1)C1(C)CCC4(C)CC1
InChIInChI=1S/C67H68N6/c1-59(2)47-33(27-35-41-37(29-68-55-49(41)60(3)11-19-64(55,7)20-12-60)72-39-31-70-57-51(43(39)45(47)53(35)72)62(5)15-23-66(57,9)24-16-62)34-28-36-42-38(30-69-56-50(42)61(4)13-21-65(56,8)22-14-61)73-40-32-71-58-52(44(40)46(48(34)59)54(36)73)63(6)17-25-67(58,10)26-18-63/h27-32H,11-26H2,1-10H3
InChIKeyZCBNBZGFWYGIBZ-UHFFFAOYSA-N
XLogP16.29
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.32
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,6,6,11,14,24,27,38,41,51-decamethyl-16,19,22,43,46,49-hexazanonadecacyclo[49.2.2.211,14.224,27.238,41.14,46.18,30.02,50.03,47.05,33.07,32.09,18.010,15.020,29.023,28.036,45.037,42.019,59.035,56]trihexaconta-2,4(56),5(33),7(32),8(59),9,15,17,20,22,28,30,34,36,42,44,47,49-octadecaene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,6,6,11,14,24,27,38,41,51-decamethyl-16,19,22,43,46,49-hexazanonadecacyclo[49.2.2.211,14.224,27.238,41.14,46.18,30.02,50.03,47.05,33.07,32.09,18.010,15.020,29.023,28.036,45.037,42.019,59.035,56]trihexaconta-2,4(56),5(33),7(32),8(59),9,15,17,20,22,28,30,34,36,42,44,47,49-octadecaene?
The IUPAC name of 1,6,6,11,14,24,27,38,41,51-decamethyl-16,19,22,43,46,49-hexazanonadecacyclo[49.2.2.211,14.224,27.238,41.14,46.18,30.02,50.03,47.05,33.07,32.09,18.010,15.020,29.023,28.036,45.037,42.019,59.035,56]trihexaconta-2,4(56),5(33),7(32),8(59),9,15,17,20,22,28,30,34,36,42,44,47,49-octadecaene (CID 171402664) is 1,6,6,11,14,24,27,38,41,51-decamethyl-16,19,22,43,46,49-hexazanonadecacyclo[49.2.2.211,14.224,27.238,41.14,46.18,30.02,50.03,47.05,33.07,32.09,18.010,15.020,29.023,28.036,45.037,42.019,59.035,56]trihexaconta-2,4(56),5(33),7(32),8(59),9,15,17,20,22,28,30,34,36,42,44,47,49-octadecaene.
What is the SMILES notation for 1,6,6,11,14,24,27,38,41,51-decamethyl-16,19,22,43,46,49-hexazanonadecacyclo[49.2.2.211,14.224,27.238,41.14,46.18,30.02,50.03,47.05,33.07,32.09,18.010,15.020,29.023,28.036,45.037,42.019,59.035,56]trihexaconta-2,4(56),5(33),7(32),8(59),9,15,17,20,22,28,30,34,36,42,44,47,49-octadecaene?
The canonical SMILES for 1,6,6,11,14,24,27,38,41,51-decamethyl-16,19,22,43,46,49-hexazanonadecacyclo[49.2.2.211,14.224,27.238,41.14,46.18,30.02,50.03,47.05,33.07,32.09,18.010,15.020,29.023,28.036,45.037,42.019,59.035,56]trihexaconta-2,4(56),5(33),7(32),8(59),9,15,17,20,22,28,30,34,36,42,44,47,49-octadecaene is CC12CCC(C)(CC1)c1c2ncc2c1c1cc3c(c4c5c6c(ncc5n2c14)C1(C)CCC6(C)CC1)C(C)(C)c1c-3cc2c3c4c(ncc3n3c5cnc6c(c5c1c23)C1(C)CCC6(C)CC1)C1(C)CCC4(C)CC1.
What is the InChIKey of 1,6,6,11,14,24,27,38,41,51-decamethyl-16,19,22,43,46,49-hexazanonadecacyclo[49.2.2.211,14.224,27.238,41.14,46.18,30.02,50.03,47.05,33.07,32.09,18.010,15.020,29.023,28.036,45.037,42.019,59.035,56]trihexaconta-2,4(56),5(33),7(32),8(59),9,15,17,20,22,28,30,34,36,42,44,47,49-octadecaene?
The InChIKey is ZCBNBZGFWYGIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H68N6/c1-59(2)47-33(27-35-41-37(29-68-55-49(41)60(3)11-19-64(55,7)20-12-60)72-39-31-70-57-51(43(39)45(47)53(35)72)62(5)15-23-66(57,9)24-16-62)34-28-36-42-38(30-69-56-50(42)61(4)13-21-65(56,8)22-14-61)73-40-32-71-58-52(44(40)46(48(34)59)54(36)73)63(6)17-25-67(58,10)26-18-63/h27-32H,11-26H2,1-10H3.
What are the key properties of 1,6,6,11,14,24,27,38,41,51-decamethyl-16,19,22,43,46,49-hexazanonadecacyclo[49.2.2.211,14.224,27.238,41.14,46.18,30.02,50.03,47.05,33.07,32.09,18.010,15.020,29.023,28.036,45.037,42.019,59.035,56]trihexaconta-2,4(56),5(33),7(32),8(59),9,15,17,20,22,28,30,34,36,42,44,47,49-octadecaene?
1,6,6,11,14,24,27,38,41,51-decamethyl-16,19,22,43,46,49-hexazanonadecacyclo[49.2.2.211,14.224,27.238,41.14,46.18,30.02,50.03,47.05,33.07,32.09,18.010,15.020,29.023,28.036,45.037,42.019,59.035,56]trihexaconta-2,4(56),5(33),7(32),8(59),9,15,17,20,22,28,30,34,36,42,44,47,49-octadecaene has a molecular weight of 957.32 g/mol, XLogP of 16.29, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6,11,14,24,27,38,41,51-decamethyl-16,19,22,43,46,49-hexazanonadecacyclo[49.2.2.211,14.224,27.238,41.14,46.18,30.02,50.03,47.05,33.07,32.09,18.010,15.020,29.023,28.036,45.037,42.019,59.035,56]trihexaconta-2,4(56),5(33),7(32),8(59),9,15,17,20,22,28,30,34,36,42,44,47,49-octadecaene is sourced from PubChem (CID 171402664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).