5,12-diphenyl-4a,14a-dihydroquinolino[2,3-b]acridine-7,14-dione;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine

C74H58N4O2 — CID 164970559

About 5,12-diphenyl-4a,14a-dihydroquinolino[2,3-b]acridine-7,14-dione;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine

5,12-diphenyl-4a,14a-dihydroquinolino[2,3-b]acridine-7,14-dione;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine (PubChem CID 164970559) has the molecular formula C74H58N4O2 and a molecular weight of 1035.30 g/mol. Its IUPAC name is 5,12-diphenyl-4a,14a-dihydroquinolino[2,3-b]acridine-7,14-dione;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine.

Molecular Properties

• Compound Name: 5,12-diphenyl-4a,14a-dihydroquinolino[2,3-b]acridine-7,14-dione;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
• PubChem CID: 164970559
• Molecular Formula: C74H58N4O2
• Molecular Weight: 1035.30 g/mol
• Exact Mass: 1034.46
• IUPAC Name: 5,12-diphenyl-4a,14a-dihydroquinolino[2,3-b]acridine-7,14-dione;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3ccccc23)cc1.O=C1c2cc3c(cc2N(c2ccccc2)C2C=CC=CC12)c(=O)c1ccccc1n3-c1ccccc1
• InChI: InChI=1S/C42H36N2.C32H22N2O2/c1-29-13-21-33(22-14-29)43(34-23-15-30(2)16-24-34)41-37-9-5-7-11-39(37)42(40-12-8-6-10-38(40)41)44(35-25-17-31(3)18-26-35)36-27-19-32(4)20-28-36;35-31-23-15-7-9-17-27(23)33(21-11-3-1-4-12-21)29-19-26-30(20-25(29)31)34(22-13-5-2-6-14-22)28-18-10-8-16-24(28)32(26)36/h5-28H,1-4H3;1-20,23,27H
• InChIKey: DBKKCUGVQFJXBM-UHFFFAOYSA-N
• XLogP: 18.76
• TPSA: 48.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1035.30
LogP ≤ 5	18.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,12-diphenyl-4a,14a-dihydroquinolino[2,3-b]acridine-7,14-dione;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine?

The IUPAC name of 5,12-diphenyl-4a,14a-dihydroquinolino[2,3-b]acridine-7,14-dione;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine (CID 164970559) is 5,12-diphenyl-4a,14a-dihydroquinolino[2,3-b]acridine-7,14-dione;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine.

What is the SMILES notation for 5,12-diphenyl-4a,14a-dihydroquinolino[2,3-b]acridine-7,14-dione;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine?

The canonical SMILES for 5,12-diphenyl-4a,14a-dihydroquinolino[2,3-b]acridine-7,14-dione;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine is Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3ccccc23)cc1.O=C1c2cc3c(cc2N(c2ccccc2)C2C=CC=CC12)c(=O)c1ccccc1n3-c1ccccc1.

What is the InChIKey of 5,12-diphenyl-4a,14a-dihydroquinolino[2,3-b]acridine-7,14-dione;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine?

The InChIKey is DBKKCUGVQFJXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N2.C32H22N2O2/c1-29-13-21-33(22-14-29)43(34-23-15-30(2)16-24-34)41-37-9-5-7-11-39(37)42(40-12-8-6-10-38(40)41)44(35-25-17-31(3)18-26-35)36-27-19-32(4)20-28-36;35-31-23-15-7-9-17-27(23)33(21-11-3-1-4-12-21)29-19-26-30(20-25(29)31)34(22-13-5-2-6-14-22)28-18-10-8-16-24(28)32(26)36/h5-28H,1-4H3;1-20,23,27H.

What are the key properties of 5,12-diphenyl-4a,14a-dihydroquinolino[2,3-b]acridine-7,14-dione;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine?

5,12-diphenyl-4a,14a-dihydroquinolino[2,3-b]acridine-7,14-dione;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine has a molecular weight of 1035.30 g/mol, XLogP of 18.76, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,12-diphenyl-4a,14a-dihydroquinolino[2,3-b]acridine-7,14-dione;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine is sourced from PubChem (CID 164970559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).