6-ethyl-5,17-dimethyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene

C26H22N2 — CID 58411208

IUPAC6-ethyl-5,17-dimethyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
SMILESCCc1cc2cc3ccc4c5cc6c(ccn6C)cc5ccc4c3cc2n1C
InChIInChI=1S/C26H22N2/c1-4-20-13-19-12-17-6-8-21-22(24(17)15-26(19)28(20)3)7-5-16-11-18-9-10-27(2)25(18)14-23(16)21/h5-15H,4H2,1-3H3
InChIKeyYALAEDTVHLTCBJ-UHFFFAOYSA-N
MW362.48 g/mol
LogP6.69
Rot. Bonds1

About 6-ethyl-5,17-dimethyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene

6-ethyl-5,17-dimethyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene (PubChem CID 58411208) has the molecular formula C26H22N2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 6-ethyl-5,17-dimethyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene.

Molecular Properties

Compound Name6-ethyl-5,17-dimethyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
PubChem CID58411208
Molecular FormulaC26H22N2
Molecular Weight362.48 g/mol
Exact Mass362.18
IUPAC Name6-ethyl-5,17-dimethyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
SMILESCCc1cc2cc3ccc4c5cc6c(ccn6C)cc5ccc4c3cc2n1C
InChIInChI=1S/C26H22N2/c1-4-20-13-19-12-17-6-8-21-22(24(17)15-26(19)28(20)3)7-5-16-11-18-9-10-27(2)25(18)14-23(16)21/h5-15H,4H2,1-3H3
InChIKeyYALAEDTVHLTCBJ-UHFFFAOYSA-N
XLogP6.69
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-ethyl-5,17-dimethyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene with MolForge

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Related Compounds

5,17-dimethyl-6-propyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
CID 58411420
6-fluoro-5,17-dimethyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
CID 58411049
5,17-dimethyl-6,18-dipropyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
CID 58410967
7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaene
CID 58411045
2,6-diethyl-1-methylindole
CID 118283612
1,7-dimethylpyrrolo[3,2-f]indole
CID 170295030
2-(7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl-ethyl-di(propan-2-yl)silane
CID 90291070
tri(propan-2-yl)-[2-(7,11,19-trimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl]silane
CID 143948970
acetic acid;2-ethyl-1-methylindole
CID 70581856
8,20-dimethyl-7-undecyl-8,20-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene
CID 58411709
7-hexyl-6,18-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 58411732
1-(6-bromo-1-methylindol-2-yl)propan-2-ol
CID 84712067

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5,17-dimethyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene?
The IUPAC name of 6-ethyl-5,17-dimethyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene (CID 58411208) is 6-ethyl-5,17-dimethyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene.
What is the SMILES notation for 6-ethyl-5,17-dimethyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene?
The canonical SMILES for 6-ethyl-5,17-dimethyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene is CCc1cc2cc3ccc4c5cc6c(ccn6C)cc5ccc4c3cc2n1C.
What is the InChIKey of 6-ethyl-5,17-dimethyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene?
The InChIKey is YALAEDTVHLTCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2/c1-4-20-13-19-12-17-6-8-21-22(24(17)15-26(19)28(20)3)7-5-16-11-18-9-10-27(2)25(18)14-23(16)21/h5-15H,4H2,1-3H3.
What are the key properties of 6-ethyl-5,17-dimethyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene?
6-ethyl-5,17-dimethyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene has a molecular weight of 362.48 g/mol, XLogP of 6.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5,17-dimethyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene is sourced from PubChem (CID 58411208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).