2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)-N-[2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)ethyl]ethanamine

C34H33N5+2 — CID 58994607

IUPAC2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)-N-[2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)ethyl]ethanamine
SMILESc1ccc2c(c1)c1[n+](c3ccccc23)CCN1CCNCCN1CC[n+]2c1c1ccccc1c1ccccc12
InChIInChI=1S/C34H33N5/c1-3-13-29-25(9-1)27-11-5-7-15-31(27)38-23-21-36(33(29)38)19-17-35-18-20-37-22-24-39-32-16-8-6-12-28(32)26-10-2-4-14-30(26)34(37)39/h1-16,35H,17-24H2/q+2
InChIKeyFZQOOYBRJBJWQN-UHFFFAOYSA-N
MW511.67 g/mol
LogP4.80
Rot. Bonds6

About 2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)-N-[2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)ethyl]ethanamine

2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)-N-[2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)ethyl]ethanamine (PubChem CID 58994607) has the molecular formula C34H33N5+2 and a molecular weight of 511.67 g/mol. Its IUPAC name is 2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)-N-[2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)-N-[2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)ethyl]ethanamine
PubChem CID58994607
Molecular FormulaC34H33N5+2
Molecular Weight511.67 g/mol
Exact Mass511.27
IUPAC Name2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)-N-[2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)ethyl]ethanamine
SMILESc1ccc2c(c1)c1[n+](c3ccccc23)CCN1CCNCCN1CC[n+]2c1c1ccccc1c1ccccc12
InChIInChI=1S/C34H33N5/c1-3-13-29-25(9-1)27-11-5-7-15-31(27)38-23-21-36(33(29)38)19-17-35-18-20-37-22-24-39-32-16-8-6-12-28(32)26-10-2-4-14-30(26)34(37)39/h1-16,35H,17-24H2/q+2
InChIKeyFZQOOYBRJBJWQN-UHFFFAOYSA-N
XLogP4.80
TPSA26.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.67
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)-N-[2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)ethyl]ethanamine?
The IUPAC name of 2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)-N-[2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)ethyl]ethanamine (CID 58994607) is 2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)-N-[2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)ethyl]ethanamine.
What is the SMILES notation for 2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)-N-[2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)ethyl]ethanamine?
The canonical SMILES for 2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)-N-[2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)ethyl]ethanamine is c1ccc2c(c1)c1[n+](c3ccccc23)CCN1CCNCCN1CC[n+]2c1c1ccccc1c1ccccc12.
What is the InChIKey of 2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)-N-[2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)ethyl]ethanamine?
The InChIKey is FZQOOYBRJBJWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N5/c1-3-13-29-25(9-1)27-11-5-7-15-31(27)38-23-21-36(33(29)38)19-17-35-18-20-37-22-24-39-32-16-8-6-12-28(32)26-10-2-4-14-30(26)34(37)39/h1-16,35H,17-24H2/q+2.
What are the key properties of 2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)-N-[2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)ethyl]ethanamine?
2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)-N-[2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)ethyl]ethanamine has a molecular weight of 511.67 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)-N-[2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-ium-1-yl)ethyl]ethanamine is sourced from PubChem (CID 58994607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).