1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]-9H-fluoren-3-yl]methyl]quinolin-1-ium-4-amine

C33H28N4+2 — CID 10412793

IUPAC1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]-9H-fluoren-3-yl]methyl]quinolin-1-ium-4-amine
SMILESNc1cc[n+](Cc2ccc3c(c2)-c2cc(C[n+]4ccc(N)c5ccccc54)ccc2C3)c2ccccc12
InChIInChI=1S/C33H26N4/c34-30-13-15-36(32-7-3-1-5-26(30)32)20-22-9-11-24-19-25-12-10-23(18-29(25)28(24)17-22)21-37-16-14-31(35)27-6-2-4-8-33(27)37/h1-18,34-35H,19-21H2/p+2
InChIKeyWSGPHOOUFMJNRZ-UHFFFAOYSA-P
MW480.62 g/mol
LogP5.40
Rot. Bonds4

About 1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]-9H-fluoren-3-yl]methyl]quinolin-1-ium-4-amine

1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]-9H-fluoren-3-yl]methyl]quinolin-1-ium-4-amine (PubChem CID 10412793) has the molecular formula C33H28N4+2 and a molecular weight of 480.62 g/mol. Its IUPAC name is 1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]-9H-fluoren-3-yl]methyl]quinolin-1-ium-4-amine.

Molecular Properties

Compound Name1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]-9H-fluoren-3-yl]methyl]quinolin-1-ium-4-amine
PubChem CID10412793
Molecular FormulaC33H28N4+2
Molecular Weight480.62 g/mol
Exact Mass480.23
IUPAC Name1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]-9H-fluoren-3-yl]methyl]quinolin-1-ium-4-amine
SMILESNc1cc[n+](Cc2ccc3c(c2)-c2cc(C[n+]4ccc(N)c5ccccc54)ccc2C3)c2ccccc12
InChIInChI=1S/C33H26N4/c34-30-13-15-36(32-7-3-1-5-26(30)32)20-22-9-11-24-19-25-12-10-23(18-29(25)28(24)17-22)21-37-16-14-31(35)27-6-2-4-8-33(27)37/h1-18,34-35H,19-21H2/p+2
InChIKeyWSGPHOOUFMJNRZ-UHFFFAOYSA-P
XLogP5.40
TPSA59.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.62
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]-9H-fluoren-3-yl]methyl]quinolin-1-ium-4-amine?
The IUPAC name of 1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]-9H-fluoren-3-yl]methyl]quinolin-1-ium-4-amine (CID 10412793) is 1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]-9H-fluoren-3-yl]methyl]quinolin-1-ium-4-amine.
What is the SMILES notation for 1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]-9H-fluoren-3-yl]methyl]quinolin-1-ium-4-amine?
The canonical SMILES for 1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]-9H-fluoren-3-yl]methyl]quinolin-1-ium-4-amine is Nc1cc[n+](Cc2ccc3c(c2)-c2cc(C[n+]4ccc(N)c5ccccc54)ccc2C3)c2ccccc12.
What is the InChIKey of 1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]-9H-fluoren-3-yl]methyl]quinolin-1-ium-4-amine?
The InChIKey is WSGPHOOUFMJNRZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C33H26N4/c34-30-13-15-36(32-7-3-1-5-26(30)32)20-22-9-11-24-19-25-12-10-23(18-29(25)28(24)17-22)21-37-16-14-31(35)27-6-2-4-8-33(27)37/h1-18,34-35H,19-21H2/p+2.
What are the key properties of 1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]-9H-fluoren-3-yl]methyl]quinolin-1-ium-4-amine?
1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]-9H-fluoren-3-yl]methyl]quinolin-1-ium-4-amine has a molecular weight of 480.62 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]-9H-fluoren-3-yl]methyl]quinolin-1-ium-4-amine is sourced from PubChem (CID 10412793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).