3,10-di(propan-2-yl)-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione

C44H44N2O2 — CID 168823245

IUPAC3,10-di(propan-2-yl)-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione
SMILESCC(C)c1ccc(-n2c3cc(C(C)C)ccc3c(=O)c3cc4c(cc32)c(=O)c2ccc(C(C)C)cc2n4-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C44H44N2O2/c1-25(2)29-9-15-33(16-10-29)45-39-21-31(27(5)6)13-19-35(39)43(47)37-24-42-38(23-41(37)45)44(48)36-20-14-32(28(7)8)22-40(36)46(42)34-17-11-30(12-18-34)26(3)4/h9-28H,1-8H3
InChIKeyJFRZXIJSAGZVED-UHFFFAOYSA-N
MW632.85 g/mol
LogP11.09
Rot. Bonds6

About 3,10-di(propan-2-yl)-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione

3,10-di(propan-2-yl)-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione (PubChem CID 168823245) has the molecular formula C44H44N2O2 and a molecular weight of 632.85 g/mol. Its IUPAC name is 3,10-di(propan-2-yl)-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name3,10-di(propan-2-yl)-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione
PubChem CID168823245
Molecular FormulaC44H44N2O2
Molecular Weight632.85 g/mol
Exact Mass632.34
IUPAC Name3,10-di(propan-2-yl)-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione
SMILESCC(C)c1ccc(-n2c3cc(C(C)C)ccc3c(=O)c3cc4c(cc32)c(=O)c2ccc(C(C)C)cc2n4-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C44H44N2O2/c1-25(2)29-9-15-33(16-10-29)45-39-21-31(27(5)6)13-19-35(39)43(47)37-24-42-38(23-41(37)45)44(48)36-20-14-32(28(7)8)22-40(36)46(42)34-17-11-30(12-18-34)26(3)4/h9-28H,1-8H3
InChIKeyJFRZXIJSAGZVED-UHFFFAOYSA-N
XLogP11.09
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.85
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3,10-ditert-butyl-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione
CID 168823353
2,9-di(butan-2-yl)-5,12-bis(4-hydroxyphenyl)quinolino[2,3-b]acridine-7,14-dione
CID 23522317
4-(4-propan-2-ylphenyl)-1,2,4-triazolidine-3,5-dione
CID 125492272
2-methyl-6-propan-2-yl-10-(2,2,2-trifluoroethyl)acridin-9-one
CID 67522469
3-propan-2-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 166922874
11-phenyl-9-propan-2-ylbenzo[a]carbazole
CID 134509893
9-(4-propan-2-ylphenyl)-3-[3-[9-[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazole
CID 71232684
3,6-ditert-butyl-10-phenylacridin-9-one
CID 139036050
1-(4-fluorophenyl)-3-methyl-2-phenyl-6-propan-2-ylquinolin-4-one
CID 516450
5,7-diphenylquinolino[3,2-b]acridine-12,14-dione
CID 146333918
9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole
CID 170191749
3,6-difluoro-10-phenylacridin-9-one
CID 156785373

Frequently Asked Questions

What is the IUPAC name of 3,10-di(propan-2-yl)-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 3,10-di(propan-2-yl)-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione (CID 168823245) is 3,10-di(propan-2-yl)-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 3,10-di(propan-2-yl)-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 3,10-di(propan-2-yl)-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione is CC(C)c1ccc(-n2c3cc(C(C)C)ccc3c(=O)c3cc4c(cc32)c(=O)c2ccc(C(C)C)cc2n4-c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 3,10-di(propan-2-yl)-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione?
The InChIKey is JFRZXIJSAGZVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N2O2/c1-25(2)29-9-15-33(16-10-29)45-39-21-31(27(5)6)13-19-35(39)43(47)37-24-42-38(23-41(37)45)44(48)36-20-14-32(28(7)8)22-40(36)46(42)34-17-11-30(12-18-34)26(3)4/h9-28H,1-8H3.
What are the key properties of 3,10-di(propan-2-yl)-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione?
3,10-di(propan-2-yl)-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione has a molecular weight of 632.85 g/mol, XLogP of 11.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-di(propan-2-yl)-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 168823245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).