14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene

C48H32N2+2 — CID 59411714

IUPAC14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene
SMILESC[N+]1(C)Cc2c(c3c4ccc5c6c7c8c9c%10c%11c%12c%13c(c%14c%12c%12c(c2c2c%12c%11c9c(c4c58)c32)C2C[N+](C)(C)CC%142)C=CC2C%13C=%10C7C2C=C6)C1
InChIInChI=1S/C48H32N2/c1-49(2)11-21-23(13-49)33-34-24-14-50(3,4)12-22(24)26-20-10-8-18-16-6-5-15-17-7-9-19-25(21)35-39-31(19)29(17)37-27(15)28(16)38-30(18)32(20)40-36(26)42(34)45(41(33)35)48-46(39)43(37)44(38)47(40)48/h5-10,15,17,21,23,27,29H,11-14H2,1-4H3/q+2
InChIKeyAWDXDLMQDCDYLY-UHFFFAOYSA-N
MW636.80 g/mol
LogP9.42
Rot. Bonds

About 14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene

14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene (PubChem CID 59411714) has the molecular formula C48H32N2+2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene.

Molecular Properties

Compound Name14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene
PubChem CID59411714
Molecular FormulaC48H32N2+2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC Name14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene
SMILESC[N+]1(C)Cc2c(c3c4ccc5c6c7c8c9c%10c%11c%12c%13c(c%14c%12c%12c(c2c2c%12c%11c9c(c4c58)c32)C2C[N+](C)(C)CC%142)C=CC2C%13C=%10C7C2C=C6)C1
InChIInChI=1S/C48H32N2/c1-49(2)11-21-23(13-49)33-34-24-14-50(3,4)12-22(24)26-20-10-8-18-16-6-5-15-17-7-9-19-25(21)35-39-31(19)29(17)37-27(15)28(16)38-30(18)32(20)40-36(26)42(34)45(41(33)35)48-46(39)43(37)44(38)47(40)48/h5-10,15,17,21,23,27,29H,11-14H2,1-4H3/q+2
InChIKeyAWDXDLMQDCDYLY-UHFFFAOYSA-N
XLogP9.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene?
The IUPAC name of 14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene (CID 59411714) is 14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene.
What is the SMILES notation for 14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene?
The canonical SMILES for 14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene is C[N+]1(C)Cc2c(c3c4ccc5c6c7c8c9c%10c%11c%12c%13c(c%14c%12c%12c(c2c2c%12c%11c9c(c4c58)c32)C2C[N+](C)(C)CC%142)C=CC2C%13C=%10C7C2C=C6)C1.
What is the InChIKey of 14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene?
The InChIKey is AWDXDLMQDCDYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-49(2)11-21-23(13-49)33-34-24-14-50(3,4)12-22(24)26-20-10-8-18-16-6-5-15-17-7-9-19-25(21)35-39-31(19)29(17)37-27(15)28(16)38-30(18)32(20)40-36(26)42(34)45(41(33)35)48-46(39)43(37)44(38)47(40)48/h5-10,15,17,21,23,27,29H,11-14H2,1-4H3/q+2.
What are the key properties of 14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene?
14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene has a molecular weight of 636.80 g/mol, XLogP of 9.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene is sourced from PubChem (CID 59411714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).