9,21-dimethyl-9,21-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,22]tetracosa-1(17),2(10),3,5,7,11,13,15,18(22),19,23-undecaene

C24H18N2 — CID 146408812

IUPAC9,21-dimethyl-9,21-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,22]tetracosa-1(17),2(10),3,5,7,11,13,15,18(22),19,23-undecaene
SMILESCn1ccc2c3c4ccccc4c4c(c3ccc21)c1ccccc1n4C
InChIInChI=1S/C24H18N2/c1-25-14-13-18-20(25)12-11-19-22(18)15-7-3-4-8-16(15)24-23(19)17-9-5-6-10-21(17)26(24)2/h3-14H,1-2H3
InChIKeyVVTVMLSAXAYVBB-UHFFFAOYSA-N
MW334.42 g/mol
LogP6.13
Rot. Bonds

About 9,21-dimethyl-9,21-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,22]tetracosa-1(17),2(10),3,5,7,11,13,15,18(22),19,23-undecaene

9,21-dimethyl-9,21-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,22]tetracosa-1(17),2(10),3,5,7,11,13,15,18(22),19,23-undecaene (PubChem CID 146408812) has the molecular formula C24H18N2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 9,21-dimethyl-9,21-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,22]tetracosa-1(17),2(10),3,5,7,11,13,15,18(22),19,23-undecaene.

Molecular Properties

Compound Name9,21-dimethyl-9,21-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,22]tetracosa-1(17),2(10),3,5,7,11,13,15,18(22),19,23-undecaene
PubChem CID146408812
Molecular FormulaC24H18N2
Molecular Weight334.42 g/mol
Exact Mass334.15
IUPAC Name9,21-dimethyl-9,21-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,22]tetracosa-1(17),2(10),3,5,7,11,13,15,18(22),19,23-undecaene
SMILESCn1ccc2c3c4ccccc4c4c(c3ccc21)c1ccccc1n4C
InChIInChI=1S/C24H18N2/c1-25-14-13-18-20(25)12-11-19-22(18)15-7-3-4-8-16(15)24-23(19)17-9-5-6-10-21(17)26(24)2/h3-14H,1-2H3
InChIKeyVVTVMLSAXAYVBB-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 9,21-dimethyl-9,21-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,22]tetracosa-1(17),2(10),3,5,7,11,13,15,18(22),19,23-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,21-dimethyl-9,21-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,22]tetracosa-1(17),2(10),3,5,7,11,13,15,18(22),19,23-undecaene?
The IUPAC name of 9,21-dimethyl-9,21-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,22]tetracosa-1(17),2(10),3,5,7,11,13,15,18(22),19,23-undecaene (CID 146408812) is 9,21-dimethyl-9,21-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,22]tetracosa-1(17),2(10),3,5,7,11,13,15,18(22),19,23-undecaene.
What is the SMILES notation for 9,21-dimethyl-9,21-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,22]tetracosa-1(17),2(10),3,5,7,11,13,15,18(22),19,23-undecaene?
The canonical SMILES for 9,21-dimethyl-9,21-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,22]tetracosa-1(17),2(10),3,5,7,11,13,15,18(22),19,23-undecaene is Cn1ccc2c3c4ccccc4c4c(c3ccc21)c1ccccc1n4C.
What is the InChIKey of 9,21-dimethyl-9,21-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,22]tetracosa-1(17),2(10),3,5,7,11,13,15,18(22),19,23-undecaene?
The InChIKey is VVTVMLSAXAYVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2/c1-25-14-13-18-20(25)12-11-19-22(18)15-7-3-4-8-16(15)24-23(19)17-9-5-6-10-21(17)26(24)2/h3-14H,1-2H3.
What are the key properties of 9,21-dimethyl-9,21-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,22]tetracosa-1(17),2(10),3,5,7,11,13,15,18(22),19,23-undecaene?
9,21-dimethyl-9,21-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,22]tetracosa-1(17),2(10),3,5,7,11,13,15,18(22),19,23-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 9,21-dimethyl-9,21-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,22]tetracosa-1(17),2(10),3,5,7,11,13,15,18(22),19,23-undecaene is sourced from PubChem (CID 146408812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).