N-(6-fluoropyren-1-yl)-N-quinoxalin-5-ylquinoxalin-5-amine

C32H18FN5 — CID 176881180

IUPACN-(6-fluoropyren-1-yl)-N-quinoxalin-5-ylquinoxalin-5-amine
SMILESFc1ccc2ccc3c(N(c4cccc5nccnc45)c4cccc5nccnc45)ccc4ccc1c2c43
InChIInChI=1S/C32H18FN5/c33-23-13-9-19-8-12-22-26(14-10-20-7-11-21(23)29(19)30(20)22)38(27-5-1-3-24-31(27)36-17-15-34-24)28-6-2-4-25-32(28)37-18-16-35-25/h1-18H
InChIKeyXUFFEWSOHRQNDD-UHFFFAOYSA-N
MW491.53 g/mol
LogP8.08
Rot. Bonds3

About N-(6-fluoropyren-1-yl)-N-quinoxalin-5-ylquinoxalin-5-amine

N-(6-fluoropyren-1-yl)-N-quinoxalin-5-ylquinoxalin-5-amine (PubChem CID 176881180) has the molecular formula C32H18FN5 and a molecular weight of 491.53 g/mol. Its IUPAC name is N-(6-fluoropyren-1-yl)-N-quinoxalin-5-ylquinoxalin-5-amine.

Molecular Properties

Compound NameN-(6-fluoropyren-1-yl)-N-quinoxalin-5-ylquinoxalin-5-amine
PubChem CID176881180
Molecular FormulaC32H18FN5
Molecular Weight491.53 g/mol
Exact Mass491.15
IUPAC NameN-(6-fluoropyren-1-yl)-N-quinoxalin-5-ylquinoxalin-5-amine
SMILESFc1ccc2ccc3c(N(c4cccc5nccnc45)c4cccc5nccnc45)ccc4ccc1c2c43
InChIInChI=1S/C32H18FN5/c33-23-13-9-19-8-12-22-26(14-10-20-7-11-21(23)29(19)30(20)22)38(27-5-1-3-24-31(27)36-17-15-34-24)28-6-2-4-25-32(28)37-18-16-35-25/h1-18H
InChIKeyXUFFEWSOHRQNDD-UHFFFAOYSA-N
XLogP8.08
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.53
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N,N-dinaphthalen-1-ylpyren-1-amine
CID 176881362
1-N,3-N,6-N,8-N-tetrakis(2-methylphenyl)-3-N-quinolin-5-yl-1-N,6-N,8-N-tri(quinoxalin-5-yl)pyrene-1,3,6,8-tetramine
CID 176881193
N-(1-benzothiophen-2-yl)-N-(6-fluoropyren-1-yl)-1-benzothiophen-2-amine
CID 176881547
4-[(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-quinoxalin-5-ylamino]benzonitrile
CID 90306502
N-(4-isocyanophenyl)-15-phenyl-N-quinoxalin-5-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
CID 140732114
1-N,1-N,3-N,3-N,6-N,6-N-hexanaphthalen-1-ylpyrene-1,3,6-triamine
CID 176881422
N-dibenzofuran-2-yl-N-(6-fluoropyren-1-yl)dibenzofuran-2-amine
CID 176881700
N-(4-chlorophenyl)-N-phenylpyren-1-amine
CID 88558472
5-benzo[a]anthracen-1-ylquinoxaline
CID 143739658
pyrene;quinoxaline
CID 160801316
6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrazin-2-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrimidin-4-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-quinazolin-2-ylpyrene-1,6-diamine
CID 159842642
1-N,6-N-bis[2,4-difluoro-6-(3-fluorophenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 58099255

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoropyren-1-yl)-N-quinoxalin-5-ylquinoxalin-5-amine?
The IUPAC name of N-(6-fluoropyren-1-yl)-N-quinoxalin-5-ylquinoxalin-5-amine (CID 176881180) is N-(6-fluoropyren-1-yl)-N-quinoxalin-5-ylquinoxalin-5-amine.
What is the SMILES notation for N-(6-fluoropyren-1-yl)-N-quinoxalin-5-ylquinoxalin-5-amine?
The canonical SMILES for N-(6-fluoropyren-1-yl)-N-quinoxalin-5-ylquinoxalin-5-amine is Fc1ccc2ccc3c(N(c4cccc5nccnc45)c4cccc5nccnc45)ccc4ccc1c2c43.
What is the InChIKey of N-(6-fluoropyren-1-yl)-N-quinoxalin-5-ylquinoxalin-5-amine?
The InChIKey is XUFFEWSOHRQNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18FN5/c33-23-13-9-19-8-12-22-26(14-10-20-7-11-21(23)29(19)30(20)22)38(27-5-1-3-24-31(27)36-17-15-34-24)28-6-2-4-25-32(28)37-18-16-35-25/h1-18H.
What are the key properties of N-(6-fluoropyren-1-yl)-N-quinoxalin-5-ylquinoxalin-5-amine?
N-(6-fluoropyren-1-yl)-N-quinoxalin-5-ylquinoxalin-5-amine has a molecular weight of 491.53 g/mol, XLogP of 8.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoropyren-1-yl)-N-quinoxalin-5-ylquinoxalin-5-amine is sourced from PubChem (CID 176881180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).