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

C46H48N2O2 — CID 168823353

IUPAC3,10-ditert-butyl-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione
SMILESCC(C)c1ccc(-n2c3cc(C(C)(C)C)ccc3c(=O)c3cc4c(cc32)c(=O)c2ccc(C(C)(C)C)cc2n4-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C46H48N2O2/c1-27(2)29-11-17-33(18-12-29)47-39-23-31(45(5,6)7)15-21-35(39)43(49)37-26-42-38(25-41(37)47)44(50)36-22-16-32(46(8,9)10)24-40(36)48(42)34-19-13-30(14-20-34)28(3)4/h11-28H,1-10H3
InChIKeyIZQNLQLGGXBDRX-UHFFFAOYSA-N
MW660.90 g/mol
LogP11.44
Rot. Bonds4

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

3,10-ditert-butyl-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione (PubChem CID 168823353) has the molecular formula C46H48N2O2 and a molecular weight of 660.90 g/mol. Its IUPAC name is 3,10-ditert-butyl-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name3,10-ditert-butyl-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione
PubChem CID168823353
Molecular FormulaC46H48N2O2
Molecular Weight660.90 g/mol
Exact Mass660.37
IUPAC Name3,10-ditert-butyl-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione
SMILESCC(C)c1ccc(-n2c3cc(C(C)(C)C)ccc3c(=O)c3cc4c(cc32)c(=O)c2ccc(C(C)(C)C)cc2n4-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C46H48N2O2/c1-27(2)29-11-17-33(18-12-29)47-39-23-31(45(5,6)7)15-21-35(39)43(49)37-26-42-38(25-41(37)47)44(50)36-22-16-32(46(8,9)10)24-40(36)48(42)34-19-13-30(14-20-34)28(3)4/h11-28H,1-10H3
InChIKeyIZQNLQLGGXBDRX-UHFFFAOYSA-N
XLogP11.44
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.90
LogP ≤ 511.44
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-di(propan-2-yl)-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione
CID 168823245
3,6-ditert-butyl-10-phenylacridin-9-one
CID 139036050
2-tert-butyl-9-(4-phenylphenyl)-7-[9-(4-propan-2-ylphenyl)carbazol-2-yl]carbazole
CID 134419811
2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one
CID 176670415
9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole
CID 170191749
2,7-ditert-butyl-9-[7-tert-butyl-9-[4-[2-[4-[2-tert-butyl-6-(2,7-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazol-3-yl]carbazole
CID 176617143
5,11-bis(4-tert-butylphenyl)-3,9-diiodoindolo[3,2-b]carbazole
CID 71140489
2,9-di(butan-2-yl)-5,12-bis(4-hydroxyphenyl)quinolino[2,3-b]acridine-7,14-dione
CID 23522317
9-(4-bromophenyl)-2-tert-butylcarbazole
CID 142745661
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
4-(4-propan-2-ylphenyl)-1,2,4-triazolidine-3,5-dione
CID 125492272
9-(4-bromophenyl)-3,6-ditert-butylcarbazole
CID 139082644

Frequently Asked Questions

What is the IUPAC name of 3,10-ditert-butyl-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 3,10-ditert-butyl-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione (CID 168823353) is 3,10-ditert-butyl-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 3,10-ditert-butyl-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 3,10-ditert-butyl-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione is CC(C)c1ccc(-n2c3cc(C(C)(C)C)ccc3c(=O)c3cc4c(cc32)c(=O)c2ccc(C(C)(C)C)cc2n4-c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 3,10-ditert-butyl-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione?
The InChIKey is IZQNLQLGGXBDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N2O2/c1-27(2)29-11-17-33(18-12-29)47-39-23-31(45(5,6)7)15-21-35(39)43(49)37-26-42-38(25-41(37)47)44(50)36-22-16-32(46(8,9)10)24-40(36)48(42)34-19-13-30(14-20-34)28(3)4/h11-28H,1-10H3.
What are the key properties of 3,10-ditert-butyl-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione?
3,10-ditert-butyl-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione has a molecular weight of 660.90 g/mol, XLogP of 11.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-ditert-butyl-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 168823353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).