5,7,19-trimethyl-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-undecaene

C25H20N2 — CID 58410650

IUPAC5,7,19-trimethyl-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-undecaene
SMILESCc1cn(C)c2cc3ccc4c5cc6ccn(C)c6cc5ccc4c3cc12
InChIInChI=1S/C25H20N2/c1-15-14-27(3)25-12-17-5-6-19-20(23(17)13-21(15)25)7-4-16-11-24-18(10-22(16)19)8-9-26(24)2/h4-14H,1-3H3
InChIKeyVBCKPKJETASJEJ-UHFFFAOYSA-N
MW348.45 g/mol
LogP6.44
Rot. Bonds

About 5,7,19-trimethyl-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-undecaene

5,7,19-trimethyl-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-undecaene (PubChem CID 58410650) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5,7,19-trimethyl-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-undecaene.

Molecular Properties

Compound Name5,7,19-trimethyl-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-undecaene
PubChem CID58410650
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name5,7,19-trimethyl-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-undecaene
SMILESCc1cn(C)c2cc3ccc4c5cc6ccn(C)c6cc5ccc4c3cc12
InChIInChI=1S/C25H20N2/c1-15-14-27(3)25-12-17-5-6-19-20(23(17)13-21(15)25)7-4-16-11-24-18(10-22(16)19)8-9-26(24)2/h4-14H,1-3H3
InChIKeyVBCKPKJETASJEJ-UHFFFAOYSA-N
XLogP6.44
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,7,19-trimethyl-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-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,7,19-trimethyl-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-undecaene?
The IUPAC name of 5,7,19-trimethyl-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-undecaene (CID 58410650) is 5,7,19-trimethyl-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-undecaene.
What is the SMILES notation for 5,7,19-trimethyl-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-undecaene?
The canonical SMILES for 5,7,19-trimethyl-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-undecaene is Cc1cn(C)c2cc3ccc4c5cc6ccn(C)c6cc5ccc4c3cc12.
What is the InChIKey of 5,7,19-trimethyl-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-undecaene?
The InChIKey is VBCKPKJETASJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2/c1-15-14-27(3)25-12-17-5-6-19-20(23(17)13-21(15)25)7-4-16-11-24-18(10-22(16)19)8-9-26(24)2/h4-14H,1-3H3.
What are the key properties of 5,7,19-trimethyl-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-undecaene?
5,7,19-trimethyl-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-undecaene has a molecular weight of 348.45 g/mol, XLogP of 6.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,19-trimethyl-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-undecaene is sourced from PubChem (CID 58410650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).