5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene

C24H24N2 — CID 158374889

IUPAC5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene
SMILESCCn1c(C)cc2cc3ccc4cc5cc(C)n(CC)c5cc4c3cc21
InChIInChI=1S/C24H24N2/c1-5-25-15(3)9-19-11-17-7-8-18-12-20-10-16(4)26(6-2)24(20)14-22(18)21(17)13-23(19)25/h7-14H,5-6H2,1-4H3
InChIKeyVFCNZARQJRYQCJ-UHFFFAOYSA-N
MW340.47 g/mol
LogP6.56
Rot. Bonds2

About 5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene

5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene (PubChem CID 158374889) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene.

Molecular Properties

Compound Name5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene
PubChem CID158374889
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene
SMILESCCn1c(C)cc2cc3ccc4cc5cc(C)n(CC)c5cc4c3cc21
InChIInChI=1S/C24H24N2/c1-5-25-15(3)9-19-11-17-7-8-18-12-20-10-16(4)26(6-2)24(20)14-22(18)21(17)13-23(19)25/h7-14H,5-6H2,1-4H3
InChIKeyVFCNZARQJRYQCJ-UHFFFAOYSA-N
XLogP6.56
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene?
The IUPAC name of 5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene (CID 158374889) is 5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene.
What is the SMILES notation for 5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene?
The canonical SMILES for 5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene is CCn1c(C)cc2cc3ccc4cc5cc(C)n(CC)c5cc4c3cc21.
What is the InChIKey of 5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene?
The InChIKey is VFCNZARQJRYQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-5-25-15(3)9-19-11-17-7-8-18-12-20-10-16(4)26(6-2)24(20)14-22(18)21(17)13-23(19)25/h7-14H,5-6H2,1-4H3.
What are the key properties of 5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene?
5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene has a molecular weight of 340.47 g/mol, XLogP of 6.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,18-diethyl-6,17-dimethyl-5,18-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene is sourced from PubChem (CID 158374889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).