15-imidazo[1,2-a]pyridin-6-yl-5-[6-(7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraen-15-yl)imidazo[1,2-a]pyridin-1-ium-1-yl]-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraene

C44H45N10+ — CID 123570150

IUPAC15-imidazo[1,2-a]pyridin-6-yl-5-[6-(7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraen-15-yl)imidazo[1,2-a]pyridin-1-ium-1-yl]-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraene
SMILESc1cn2cc(-c3ccc4c(c3)nc3n4CCCN4CC([n+]5ccn6cc(-c7ccc8c(c7)nc7n8CCCN8CCCC8C7)ccc65)CC4C3)ccc2n1
InChIInChI=1S/C44H45N10/c1-4-34-25-42-46-37-23-31(6-10-39(37)53(42)17-2-15-48(34)14-1)33-8-12-44-51(28-33)20-21-52(44)36-24-35-26-43-47-38-22-30(32-7-11-41-45-13-19-50(41)27-32)5-9-40(38)54(43)18-3-16-49(35)29-36/h5-13,19-23,27-28,34-36H,1-4,14-18,24-26,29H2/q+1
InChIKeyZHGJIXHPGUWYIG-UHFFFAOYSA-N
MW713.91 g/mol
LogP6.58
Rot. Bonds3

About 15-imidazo[1,2-a]pyridin-6-yl-5-[6-(7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraen-15-yl)imidazo[1,2-a]pyridin-1-ium-1-yl]-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraene

15-imidazo[1,2-a]pyridin-6-yl-5-[6-(7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraen-15-yl)imidazo[1,2-a]pyridin-1-ium-1-yl]-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraene (PubChem CID 123570150) has the molecular formula C44H45N10+ and a molecular weight of 713.91 g/mol. Its IUPAC name is 15-imidazo[1,2-a]pyridin-6-yl-5-[6-(7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraen-15-yl)imidazo[1,2-a]pyridin-1-ium-1-yl]-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraene.

Molecular Properties

Compound Name15-imidazo[1,2-a]pyridin-6-yl-5-[6-(7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraen-15-yl)imidazo[1,2-a]pyridin-1-ium-1-yl]-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraene
PubChem CID123570150
Molecular FormulaC44H45N10+
Molecular Weight713.91 g/mol
Exact Mass713.38
IUPAC Name15-imidazo[1,2-a]pyridin-6-yl-5-[6-(7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraen-15-yl)imidazo[1,2-a]pyridin-1-ium-1-yl]-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraene
SMILESc1cn2cc(-c3ccc4c(c3)nc3n4CCCN4CC([n+]5ccn6cc(-c7ccc8c(c7)nc7n8CCCN8CCCC8C7)ccc65)CC4C3)ccc2n1
InChIInChI=1S/C44H45N10/c1-4-34-25-42-46-37-23-31(6-10-39(37)53(42)17-2-15-48(34)14-1)33-8-12-44-51(28-33)20-21-52(44)36-24-35-26-43-47-38-22-30(32-7-11-41-45-13-19-50(41)27-32)5-9-40(38)54(43)18-3-16-49(35)29-36/h5-13,19-23,27-28,34-36H,1-4,14-18,24-26,29H2/q+1
InChIKeyZHGJIXHPGUWYIG-UHFFFAOYSA-N
XLogP6.58
TPSA67.71 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.91
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 15-imidazo[1,2-a]pyridin-6-yl-5-[6-(7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraen-15-yl)imidazo[1,2-a]pyridin-1-ium-1-yl]-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-imidazo[1,2-a]pyridin-6-yl-5-[6-(7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraen-15-yl)imidazo[1,2-a]pyridin-1-ium-1-yl]-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraene?
The IUPAC name of 15-imidazo[1,2-a]pyridin-6-yl-5-[6-(7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraen-15-yl)imidazo[1,2-a]pyridin-1-ium-1-yl]-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraene (CID 123570150) is 15-imidazo[1,2-a]pyridin-6-yl-5-[6-(7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraen-15-yl)imidazo[1,2-a]pyridin-1-ium-1-yl]-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraene.
What is the SMILES notation for 15-imidazo[1,2-a]pyridin-6-yl-5-[6-(7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraen-15-yl)imidazo[1,2-a]pyridin-1-ium-1-yl]-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraene?
The canonical SMILES for 15-imidazo[1,2-a]pyridin-6-yl-5-[6-(7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraen-15-yl)imidazo[1,2-a]pyridin-1-ium-1-yl]-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraene is c1cn2cc(-c3ccc4c(c3)nc3n4CCCN4CC([n+]5ccn6cc(-c7ccc8c(c7)nc7n8CCCN8CCCC8C7)ccc65)CC4C3)ccc2n1.
What is the InChIKey of 15-imidazo[1,2-a]pyridin-6-yl-5-[6-(7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraen-15-yl)imidazo[1,2-a]pyridin-1-ium-1-yl]-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraene?
The InChIKey is ZHGJIXHPGUWYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H45N10/c1-4-34-25-42-46-37-23-31(6-10-39(37)53(42)17-2-15-48(34)14-1)33-8-12-44-51(28-33)20-21-52(44)36-24-35-26-43-47-38-22-30(32-7-11-41-45-13-19-50(41)27-32)5-9-40(38)54(43)18-3-16-49(35)29-36/h5-13,19-23,27-28,34-36H,1-4,14-18,24-26,29H2/q+1.
What are the key properties of 15-imidazo[1,2-a]pyridin-6-yl-5-[6-(7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraen-15-yl)imidazo[1,2-a]pyridin-1-ium-1-yl]-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraene?
15-imidazo[1,2-a]pyridin-6-yl-5-[6-(7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraen-15-yl)imidazo[1,2-a]pyridin-1-ium-1-yl]-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraene has a molecular weight of 713.91 g/mol, XLogP of 6.58, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 15-imidazo[1,2-a]pyridin-6-yl-5-[6-(7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraen-15-yl)imidazo[1,2-a]pyridin-1-ium-1-yl]-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),12(17),13,15-tetraene is sourced from PubChem (CID 123570150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).