(6Z,19Z)-1,14-diazoniatricyclo[21.3.1.110,14]octacosa-1(27),6,10,14(28),19,23-hexaene

C26H40N2+2 — CID 11072113

IUPAC(6Z,19Z)-1,14-diazoniatricyclo[21.3.1.110,14]octacosa-1(27),6,10,14(28),19,23-hexaene
SMILESC1=C2C=[N+](CC1)CCCC/C=C\CCC1=CCC[N+](=C1)CCCC/C=C\CC2
InChIInChI=1S/C26H40N2/c1-3-7-11-19-27-21-14-18-26(24-27)16-10-6-2-4-8-12-20-28-22-13-17-25(23-28)15-9-5-1/h1-2,5-6,17-18,23-24H,3-4,7-16,19-22H2/q+2/b5-1-,6-2-
InChIKeyFDZSGQDNXJYLCE-IOBHVTPZSA-N
MW380.62 g/mol
LogP5.84
Rot. Bonds

About (6Z,19Z)-1,14-diazoniatricyclo[21.3.1.110,14]octacosa-1(27),6,10,14(28),19,23-hexaene

(6Z,19Z)-1,14-diazoniatricyclo[21.3.1.110,14]octacosa-1(27),6,10,14(28),19,23-hexaene (PubChem CID 11072113) has the molecular formula C26H40N2+2 and a molecular weight of 380.62 g/mol. Its IUPAC name is (6Z,19Z)-1,14-diazoniatricyclo[21.3.1.110,14]octacosa-1(27),6,10,14(28),19,23-hexaene.

Molecular Properties

Compound Name(6Z,19Z)-1,14-diazoniatricyclo[21.3.1.110,14]octacosa-1(27),6,10,14(28),19,23-hexaene
PubChem CID11072113
Molecular FormulaC26H40N2+2
Molecular Weight380.62 g/mol
Exact Mass380.32
IUPAC Name(6Z,19Z)-1,14-diazoniatricyclo[21.3.1.110,14]octacosa-1(27),6,10,14(28),19,23-hexaene
SMILESC1=C2C=[N+](CC1)CCCC/C=C\CCC1=CCC[N+](=C1)CCCC/C=C\CC2
InChIInChI=1S/C26H40N2/c1-3-7-11-19-27-21-14-18-26(24-27)16-10-6-2-4-8-12-20-28-22-13-17-25(23-28)15-9-5-1/h1-2,5-6,17-18,23-24H,3-4,7-16,19-22H2/q+2/b5-1-,6-2-
InChIKeyFDZSGQDNXJYLCE-IOBHVTPZSA-N
XLogP5.84
TPSA6.02 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (6Z,19Z)-1,14-diazoniatricyclo[21.3.1.110,14]octacosa-1(27),6,10,14(28),19,23-hexaene with MolForge

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Related Compounds

(E)-8-[(Z)-but-2-enyl]imino-N-butyl-6-methyl-N-propyloct-6-en-1-amine
CID 174317485
(5E)-5-[(5E)-5-(3,4-dihydro-2H-pyridin-5-ylidene)pentylidene]-3,4-dihydro-2H-pyridine
CID 10036847
5-But-3-enyl-1-hex-5-enyl-2,3-dihydropyridin-1-ium
CID 102121857
(6Z,19Z)-14-aza-1-azoniatricyclo[21.3.1.110,14]octacosa-1(27),6,10(28),11,19,23-hexaene
CID 119077687
(5Z,11E,18Z)-1-aza-13-azoniatetracyclo[20.3.1.19,13.011,23]heptacosa-5,9,11(23),13(27),18,22(26)-hexaene
CID 177453801
(5Z)-5-[(5Z)-5-(3,4-dihydro-2H-pyridin-5-ylidene)pentylidene]-3,4-dihydro-2H-pyridine
CID 177584446

Frequently Asked Questions

What is the IUPAC name of (6Z,19Z)-1,14-diazoniatricyclo[21.3.1.110,14]octacosa-1(27),6,10,14(28),19,23-hexaene?
The IUPAC name of (6Z,19Z)-1,14-diazoniatricyclo[21.3.1.110,14]octacosa-1(27),6,10,14(28),19,23-hexaene (CID 11072113) is (6Z,19Z)-1,14-diazoniatricyclo[21.3.1.110,14]octacosa-1(27),6,10,14(28),19,23-hexaene.
What is the SMILES notation for (6Z,19Z)-1,14-diazoniatricyclo[21.3.1.110,14]octacosa-1(27),6,10,14(28),19,23-hexaene?
The canonical SMILES for (6Z,19Z)-1,14-diazoniatricyclo[21.3.1.110,14]octacosa-1(27),6,10,14(28),19,23-hexaene is C1=C2C=[N+](CC1)CCCC/C=C\CCC1=CCC[N+](=C1)CCCC/C=C\CC2.
What is the InChIKey of (6Z,19Z)-1,14-diazoniatricyclo[21.3.1.110,14]octacosa-1(27),6,10,14(28),19,23-hexaene?
The InChIKey is FDZSGQDNXJYLCE-IOBHVTPZSA-N. The full InChI is InChI=1S/C26H40N2/c1-3-7-11-19-27-21-14-18-26(24-27)16-10-6-2-4-8-12-20-28-22-13-17-25(23-28)15-9-5-1/h1-2,5-6,17-18,23-24H,3-4,7-16,19-22H2/q+2/b5-1-,6-2-.
What are the key properties of (6Z,19Z)-1,14-diazoniatricyclo[21.3.1.110,14]octacosa-1(27),6,10,14(28),19,23-hexaene?
(6Z,19Z)-1,14-diazoniatricyclo[21.3.1.110,14]octacosa-1(27),6,10,14(28),19,23-hexaene has a molecular weight of 380.62 g/mol, XLogP of 5.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,19Z)-1,14-diazoniatricyclo[21.3.1.110,14]octacosa-1(27),6,10,14(28),19,23-hexaene is sourced from PubChem (CID 11072113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).