5,12,13,20-tetramethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene

C24H26N2+2 — CID 118545760

IUPAC5,12,13,20-tetramethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene
SMILESCc1cc[n+]2c(c1)-c1c(c(C)c(C)c3c1-c1cc(C)cc[n+]1CC3)CC2
InChIInChI=1S/C24H26N2/c1-15-5-9-25-11-7-19-17(3)18(4)20-8-12-26-10-6-16(2)14-22(26)24(20)23(19)21(25)13-15/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3/q+2
InChIKeyIUNFAJODBVHGFN-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.94
Rot. Bonds

About 5,12,13,20-tetramethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene

5,12,13,20-tetramethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene (PubChem CID 118545760) has the molecular formula C24H26N2+2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 5,12,13,20-tetramethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene.

Molecular Properties

Compound Name5,12,13,20-tetramethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene
PubChem CID118545760
Molecular FormulaC24H26N2+2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC Name5,12,13,20-tetramethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene
SMILESCc1cc[n+]2c(c1)-c1c(c(C)c(C)c3c1-c1cc(C)cc[n+]1CC3)CC2
InChIInChI=1S/C24H26N2/c1-15-5-9-25-11-7-19-17(3)18(4)20-8-12-26-10-6-16(2)14-22(26)24(20)23(19)21(25)13-15/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3/q+2
InChIKeyIUNFAJODBVHGFN-UHFFFAOYSA-N
XLogP3.94
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5,12,13,20-tetramethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,12,13,20-tetramethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene?
The IUPAC name of 5,12,13,20-tetramethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene (CID 118545760) is 5,12,13,20-tetramethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene.
What is the SMILES notation for 5,12,13,20-tetramethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene?
The canonical SMILES for 5,12,13,20-tetramethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene is Cc1cc[n+]2c(c1)-c1c(c(C)c(C)c3c1-c1cc(C)cc[n+]1CC3)CC2.
What is the InChIKey of 5,12,13,20-tetramethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene?
The InChIKey is IUNFAJODBVHGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2/c1-15-5-9-25-11-7-19-17(3)18(4)20-8-12-26-10-6-16(2)14-22(26)24(20)23(19)21(25)13-15/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3/q+2.
What are the key properties of 5,12,13,20-tetramethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene?
5,12,13,20-tetramethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene has a molecular weight of 342.49 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12,13,20-tetramethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene is sourced from PubChem (CID 118545760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).