5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine

C54H40N4 — CID 158548153

IUPAC5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine
SMILESCc1c2c(nc3ccccc13)-c1nc3ccccc3c(C)c1CC2.c1ccc(-c2c3c(nc4ccccc24)-c2nc4ccccc4c(-c4ccccc4)c2CC3)cc1
InChIInChI=1S/C32H22N2.C22H18N2/c1-3-11-21(12-4-1)29-23-15-7-9-17-27(23)33-31-25(29)19-20-26-30(22-13-5-2-6-14-22)24-16-8-10-18-28(24)34-32(26)31;1-13-15-7-3-5-9-19(15)23-21-17(13)11-12-18-14(2)16-8-4-6-10-20(16)24-22(18)21/h1-18H,19-20H2;3-10H,11-12H2,1-2H3
InChIKeyHPJSCNRQJPGRHV-UHFFFAOYSA-N
MW744.94 g/mol
LogP13.05
Rot. Bonds2

About 5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine

5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine (PubChem CID 158548153) has the molecular formula C54H40N4 and a molecular weight of 744.94 g/mol. Its IUPAC name is 5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine.

Molecular Properties

Compound Name5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine
PubChem CID158548153
Molecular FormulaC54H40N4
Molecular Weight744.94 g/mol
Exact Mass744.33
IUPAC Name5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine
SMILESCc1c2c(nc3ccccc13)-c1nc3ccccc3c(C)c1CC2.c1ccc(-c2c3c(nc4ccccc24)-c2nc4ccccc4c(-c4ccccc4)c2CC3)cc1
InChIInChI=1S/C32H22N2.C22H18N2/c1-3-11-21(12-4-1)29-23-15-7-9-17-27(23)33-31-25(29)19-20-26-30(22-13-5-2-6-14-22)24-16-8-10-18-28(24)34-32(26)31;1-13-15-7-3-5-9-19(15)23-21-17(13)11-12-18-14(2)16-8-4-6-10-20(16)24-22(18)21/h1-18H,19-20H2;3-10H,11-12H2,1-2H3
InChIKeyHPJSCNRQJPGRHV-UHFFFAOYSA-N
XLogP13.05
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.94
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;1,10-phenanthroline
CID 67708124
1-(2-hydroxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridin-2-ol
CID 136669307
10,15-dimethyl-3,23-diazapentacyclo[12.9.0.02,11.04,9.016,22]tricosa-1(23),2,4,6,8,10,14,16(22),17,20-decaene
CID 143163436
2-(difluoromethyl)-3-methyl-4-phenylquinoline
CID 164676810
(3R)-1,1,3-trimethyl-9-phenyl-2,3-dihydrocyclopenta[b]quinoline
CID 7180244
3-chloro-2,4-diphenylquinoline
CID 10781654
6-phenyl-7H-cyclohepta[c]quinoline
CID 139394582
4-methyl-2-phenyl-3-propylquinoline
CID 39902639
4-methyl-2-phenyl-3-phenylsulfanylquinoline
CID 4685647
(E)-9-methyl-N-[3-[(E)-(9-methyl-2,3-dihydro-1H-acridin-4-ylidene)amino]oxypropoxy]-2,3-dihydro-1H-acridin-4-imine
CID 88583620
10-phenyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline 2,2-dioxide
CID 71939780
8-phenyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,12-dione
CID 15654558

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine?
The IUPAC name of 5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine (CID 158548153) is 5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine.
What is the SMILES notation for 5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine?
The canonical SMILES for 5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine is Cc1c2c(nc3ccccc13)-c1nc3ccccc3c(C)c1CC2.c1ccc(-c2c3c(nc4ccccc24)-c2nc4ccccc4c(-c4ccccc4)c2CC3)cc1.
What is the InChIKey of 5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine?
The InChIKey is HPJSCNRQJPGRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N2.C22H18N2/c1-3-11-21(12-4-1)29-23-15-7-9-17-27(23)33-31-25(29)19-20-26-30(22-13-5-2-6-14-22)24-16-8-10-18-28(24)34-32(26)31;1-13-15-7-3-5-9-19(15)23-21-17(13)11-12-18-14(2)16-8-4-6-10-20(16)24-22(18)21/h1-18H,19-20H2;3-10H,11-12H2,1-2H3.
What are the key properties of 5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine?
5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine has a molecular weight of 744.94 g/mol, XLogP of 13.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine is sourced from PubChem (CID 158548153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).