3-(3,4-dihydro-2H-quinolin-1-yl)-5-[5-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-phenylaniline

C39H38N4 — CID 160691344

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-5-[5-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-phenylaniline
SMILESc1ccc(Nc2cc(N3CCCc4ccccc43)cc(N3CCCc4c3cccc4N3CCCc4ccccc43)c2)cc1
InChIInChI=1S/C39H38N4/c1-2-16-31(17-3-1)40-32-26-33(41-23-9-14-29-12-4-6-19-36(29)41)28-34(27-32)42-24-11-18-35-38(42)21-8-22-39(35)43-25-10-15-30-13-5-7-20-37(30)43/h1-8,12-13,16-17,19-22,26-28,40H,9-11,14-15,18,23-25H2
InChIKeyJQIVVKRWQYZZFX-UHFFFAOYSA-N
MW562.76 g/mol
LogP9.68
Rot. Bonds5

About 3-(3,4-dihydro-2H-quinolin-1-yl)-5-[5-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-phenylaniline

3-(3,4-dihydro-2H-quinolin-1-yl)-5-[5-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-phenylaniline (PubChem CID 160691344) has the molecular formula C39H38N4 and a molecular weight of 562.76 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-5-[5-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-phenylaniline.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-5-[5-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-phenylaniline
PubChem CID160691344
Molecular FormulaC39H38N4
Molecular Weight562.76 g/mol
Exact Mass562.31
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-5-[5-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-phenylaniline
SMILESc1ccc(Nc2cc(N3CCCc4ccccc43)cc(N3CCCc4c3cccc4N3CCCc4ccccc43)c2)cc1
InChIInChI=1S/C39H38N4/c1-2-16-31(17-3-1)40-32-26-33(41-23-9-14-29-12-4-6-19-36(29)41)28-34(27-32)42-24-11-18-35-38(42)21-8-22-39(35)43-25-10-15-30-13-5-7-20-37(30)43/h1-8,12-13,16-17,19-22,26-28,40H,9-11,14-15,18,23-25H2
InChIKeyJQIVVKRWQYZZFX-UHFFFAOYSA-N
XLogP9.68
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.76
LogP ≤ 59.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-dihydro-2H-quinolin-1-yl)-5-[5-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-phenylaniline with MolForge

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Related Compounds

ethane;1-phenyl-3,4-dihydro-2H-quinoline
CID 145126037
N-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-4-phenylbenzenesulfinamide
CID 176928082
3-amino-4-(3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 60989495
1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline
CID 81218105
3-(3,4-dihydro-2H-quinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]sulfanylaniline
CID 176928135
4-(3,4-dihydro-2H-quinolin-1-yl)-N-phenylpyridine-2-carboxamide
CID 109218742
1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline
CID 67553271
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid
CID 62136292
2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 21297635
1-[4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylphenyl]-N-methylmethanamine
CID 62134837
4-[[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193280
3-N-[1-[3,5-bis(N-phenylanilino)phenyl]-3,4-dihydro-2H-quinolin-5-yl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 166853444

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-5-[5-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-phenylaniline?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-5-[5-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-phenylaniline (CID 160691344) is 3-(3,4-dihydro-2H-quinolin-1-yl)-5-[5-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-phenylaniline.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-5-[5-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-phenylaniline?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-5-[5-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-phenylaniline is c1ccc(Nc2cc(N3CCCc4ccccc43)cc(N3CCCc4c3cccc4N3CCCc4ccccc43)c2)cc1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-5-[5-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-phenylaniline?
The InChIKey is JQIVVKRWQYZZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H38N4/c1-2-16-31(17-3-1)40-32-26-33(41-23-9-14-29-12-4-6-19-36(29)41)28-34(27-32)42-24-11-18-35-38(42)21-8-22-39(35)43-25-10-15-30-13-5-7-20-37(30)43/h1-8,12-13,16-17,19-22,26-28,40H,9-11,14-15,18,23-25H2.
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-5-[5-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-phenylaniline?
3-(3,4-dihydro-2H-quinolin-1-yl)-5-[5-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-phenylaniline has a molecular weight of 562.76 g/mol, XLogP of 9.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-5-[5-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-phenylaniline is sourced from PubChem (CID 160691344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).