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

C24H18N2 — CID 58411045

IUPAC7,19-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
SMILESCn1ccc2cc3c(ccc4c5cc6ccn(C)c6cc5ccc34)cc21
InChIInChI=1S/C24H18N2/c1-25-9-7-17-11-21-15(13-23(17)25)3-5-20-19(21)6-4-16-14-24-18(12-22(16)20)8-10-26(24)2/h3-14H,1-2H3
InChIKeyHIOSSWFXOHIIAV-UHFFFAOYSA-N
MW334.42 g/mol
LogP6.13
Rot. Bonds

About 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

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 (PubChem CID 58411045) has the molecular formula C24H18N2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7,19-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
PubChem CID58411045
Molecular FormulaC24H18N2
Molecular Weight334.42 g/mol
Exact Mass334.15
IUPAC Name7,19-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
SMILESCn1ccc2cc3c(ccc4c5cc6ccn(C)c6cc5ccc34)cc21
InChIInChI=1S/C24H18N2/c1-25-9-7-17-11-21-15(13-23(17)25)3-5-20-19(21)6-4-16-14-24-18(12-22(16)20)8-10-26(24)2/h3-14H,1-2H3
InChIKeyHIOSSWFXOHIIAV-UHFFFAOYSA-N
XLogP6.13
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1ccc2cc3c(ccc4c5cc6ccn(C)c6cc5ccc34)cc21.
What is the InChIKey of 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?
The InChIKey is HIOSSWFXOHIIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2/c1-25-9-7-17-11-21-15(13-23(17)25)3-5-20-19(21)6-4-16-14-24-18(12-22(16)20)8-10-26(24)2/h3-14H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 334.42 g/mol, XLogP of 6.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58411045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).