6,18-didodecyl-7,19-dimethyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene

C48H66N2 — CID 144783629

IUPAC6,18-didodecyl-7,19-dimethyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
SMILESCCCCCCCCCCCCn1c(C)cc2c3ccc4c(ccc5c4ccc4c5cc(C)n4CCCCCCCCCCCC)c3ccc21
InChIInChI=1S/C48H66N2/c1-5-7-9-11-13-15-17-19-21-23-33-49-37(3)35-45-43-27-25-40-39(41(43)29-31-47(45)49)26-28-44-42(40)30-32-48-46(44)36-38(4)50(48)34-24-22-20-18-16-14-12-10-8-6-2/h25-32,35-36H,5-24,33-34H2,1-4H3
InChIKeyRENZOAPIKWERLO-UHFFFAOYSA-N
MW671.07 g/mol
LogP15.51
Rot. Bonds22

About 6,18-didodecyl-7,19-dimethyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene

6,18-didodecyl-7,19-dimethyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene (PubChem CID 144783629) has the molecular formula C48H66N2 and a molecular weight of 671.07 g/mol. Its IUPAC name is 6,18-didodecyl-7,19-dimethyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene.

Molecular Properties

Compound Name6,18-didodecyl-7,19-dimethyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
PubChem CID144783629
Molecular FormulaC48H66N2
Molecular Weight671.07 g/mol
Exact Mass670.52
IUPAC Name6,18-didodecyl-7,19-dimethyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
SMILESCCCCCCCCCCCCn1c(C)cc2c3ccc4c(ccc5c4ccc4c5cc(C)n4CCCCCCCCCCCC)c3ccc21
InChIInChI=1S/C48H66N2/c1-5-7-9-11-13-15-17-19-21-23-33-49-37(3)35-45-43-27-25-40-39(41(43)29-31-47(45)49)26-28-44-42(40)30-32-48-46(44)36-38(4)50(48)34-24-22-20-18-16-14-12-10-8-6-2/h25-32,35-36H,5-24,33-34H2,1-4H3
InChIKeyRENZOAPIKWERLO-UHFFFAOYSA-N
XLogP15.51
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.07
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6,18-didodecyl-7,19-dimethyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene with MolForge

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Related Compounds

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CID 146671988
32-hexyl-9,14,19,24-tetramethyl-32-azaoctacyclo[25.3.1.12,6.13,30.17,11.112,16.117,21.122,26]heptatriaconta-1(30),2,4,6(37),7(36),8,10,12(35),13,15,17,19,21(34),22,24,26(33),27(31),28-octadecaene
CID 51040792
6,18-di(tridecyl)-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783644
6,18-di(undecyl)-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783653
6,18-diheptyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783572
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
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CID 22559825
benzene;9-octylcarbazole
CID 175067369
5,11-didodecyl-2-fluoro-8-methylindolo[3,2-b]carbazole
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Frequently Asked Questions

What is the IUPAC name of 6,18-didodecyl-7,19-dimethyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene?
The IUPAC name of 6,18-didodecyl-7,19-dimethyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene (CID 144783629) is 6,18-didodecyl-7,19-dimethyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene.
What is the SMILES notation for 6,18-didodecyl-7,19-dimethyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene?
The canonical SMILES for 6,18-didodecyl-7,19-dimethyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene is CCCCCCCCCCCCn1c(C)cc2c3ccc4c(ccc5c4ccc4c5cc(C)n4CCCCCCCCCCCC)c3ccc21.
What is the InChIKey of 6,18-didodecyl-7,19-dimethyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene?
The InChIKey is RENZOAPIKWERLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H66N2/c1-5-7-9-11-13-15-17-19-21-23-33-49-37(3)35-45-43-27-25-40-39(41(43)29-31-47(45)49)26-28-44-42(40)30-32-48-46(44)36-38(4)50(48)34-24-22-20-18-16-14-12-10-8-6-2/h25-32,35-36H,5-24,33-34H2,1-4H3.
What are the key properties of 6,18-didodecyl-7,19-dimethyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene?
6,18-didodecyl-7,19-dimethyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene has a molecular weight of 671.07 g/mol, XLogP of 15.51, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,18-didodecyl-7,19-dimethyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene is sourced from PubChem (CID 144783629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).