N-[1-(3-phenanthren-9-yl-5-quinolin-8-ylphenyl)ethyl]methanimine

C32H24N2 — CID 126729449

IUPACN-[1-(3-phenanthren-9-yl-5-quinolin-8-ylphenyl)ethyl]methanimine
SMILESC=NC(C)c1cc(-c2cc3ccccc3c3ccccc23)cc(-c2cccc3cccnc23)c1
InChIInChI=1S/C32H24N2/c1-21(33-2)24-17-25(28-15-7-10-22-11-8-16-34-32(22)28)19-26(18-24)31-20-23-9-3-4-12-27(23)29-13-5-6-14-30(29)31/h3-21H,2H2,1H3
InChIKeyJHGMORDSOGBFCD-UHFFFAOYSA-N
MW436.56 g/mol
LogP8.64
Rot. Bonds4

About N-[1-(3-phenanthren-9-yl-5-quinolin-8-ylphenyl)ethyl]methanimine

N-[1-(3-phenanthren-9-yl-5-quinolin-8-ylphenyl)ethyl]methanimine (PubChem CID 126729449) has the molecular formula C32H24N2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[1-(3-phenanthren-9-yl-5-quinolin-8-ylphenyl)ethyl]methanimine.

Molecular Properties

Compound NameN-[1-(3-phenanthren-9-yl-5-quinolin-8-ylphenyl)ethyl]methanimine
PubChem CID126729449
Molecular FormulaC32H24N2
Molecular Weight436.56 g/mol
Exact Mass436.19
IUPAC NameN-[1-(3-phenanthren-9-yl-5-quinolin-8-ylphenyl)ethyl]methanimine
SMILESC=NC(C)c1cc(-c2cc3ccccc3c3ccccc23)cc(-c2cccc3cccnc23)c1
InChIInChI=1S/C32H24N2/c1-21(33-2)24-17-25(28-15-7-10-22-11-8-16-34-32(22)28)19-26(18-24)31-20-23-9-3-4-12-27(23)29-13-5-6-14-30(29)31/h3-21H,2H2,1H3
InChIKeyJHGMORDSOGBFCD-UHFFFAOYSA-N
XLogP8.64
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline
CID 171422431
8-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322534
2,6-di(phenanthren-9-yl)-4-(4-quinolin-8-ylphenyl)benzo[h]quinoline
CID 89137285
8-[5-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]-2-pyridinyl]quinoline
CID 118372253
3-(3-chrysen-6-yl-5-quinolin-8-ylphenyl)-1,10-phenanthroline
CID 171459902
4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline
CID 168853179
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]-1,10-phenanthroline
CID 142752631
9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
CID 11801830
2-(3-benzo[g]quinolin-2-yl-5-quinolin-8-ylphenyl)benzo[g]quinoline
CID 139364035
5-[4-[3,5-di(phenanthren-9-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]quinoline
CID 146926587
6,12-di(phenanthren-9-yl)quinolino[8,7-h]quinoline
CID 88544757

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenanthren-9-yl-5-quinolin-8-ylphenyl)ethyl]methanimine?
The IUPAC name of N-[1-(3-phenanthren-9-yl-5-quinolin-8-ylphenyl)ethyl]methanimine (CID 126729449) is N-[1-(3-phenanthren-9-yl-5-quinolin-8-ylphenyl)ethyl]methanimine.
What is the SMILES notation for N-[1-(3-phenanthren-9-yl-5-quinolin-8-ylphenyl)ethyl]methanimine?
The canonical SMILES for N-[1-(3-phenanthren-9-yl-5-quinolin-8-ylphenyl)ethyl]methanimine is C=NC(C)c1cc(-c2cc3ccccc3c3ccccc23)cc(-c2cccc3cccnc23)c1.
What is the InChIKey of N-[1-(3-phenanthren-9-yl-5-quinolin-8-ylphenyl)ethyl]methanimine?
The InChIKey is JHGMORDSOGBFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2/c1-21(33-2)24-17-25(28-15-7-10-22-11-8-16-34-32(22)28)19-26(18-24)31-20-23-9-3-4-12-27(23)29-13-5-6-14-30(29)31/h3-21H,2H2,1H3.
What are the key properties of N-[1-(3-phenanthren-9-yl-5-quinolin-8-ylphenyl)ethyl]methanimine?
N-[1-(3-phenanthren-9-yl-5-quinolin-8-ylphenyl)ethyl]methanimine has a molecular weight of 436.56 g/mol, XLogP of 8.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenanthren-9-yl-5-quinolin-8-ylphenyl)ethyl]methanimine is sourced from PubChem (CID 126729449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).