5,12-diethyl-2,9-dinaphthalen-1-ylquinolino[2,3-b]acridine-7,14-dione

C44H32N2O2 — CID 138622571

IUPAC5,12-diethyl-2,9-dinaphthalen-1-ylquinolino[2,3-b]acridine-7,14-dione
SMILESCCn1c2ccc(-c3cccc4ccccc34)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2cccc4ccccc24)ccc1n3CC
InChIInChI=1S/C44H32N2O2/c1-3-45-39-21-19-29(33-17-9-13-27-11-5-7-15-31(27)33)23-35(39)43(47)37-26-42-38(25-41(37)45)44(48)36-24-30(20-22-40(36)46(42)4-2)34-18-10-14-28-12-6-8-16-32(28)34/h5-26H,3-4H2,1-2H3
InChIKeyATTNADBQIHYVLF-UHFFFAOYSA-N
MW620.75 g/mol
LogP10.30
Rot. Bonds4

About 5,12-diethyl-2,9-dinaphthalen-1-ylquinolino[2,3-b]acridine-7,14-dione

5,12-diethyl-2,9-dinaphthalen-1-ylquinolino[2,3-b]acridine-7,14-dione (PubChem CID 138622571) has the molecular formula C44H32N2O2 and a molecular weight of 620.75 g/mol. Its IUPAC name is 5,12-diethyl-2,9-dinaphthalen-1-ylquinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name5,12-diethyl-2,9-dinaphthalen-1-ylquinolino[2,3-b]acridine-7,14-dione
PubChem CID138622571
Molecular FormulaC44H32N2O2
Molecular Weight620.75 g/mol
Exact Mass620.25
IUPAC Name5,12-diethyl-2,9-dinaphthalen-1-ylquinolino[2,3-b]acridine-7,14-dione
SMILESCCn1c2ccc(-c3cccc4ccccc34)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2cccc4ccccc24)ccc1n3CC
InChIInChI=1S/C44H32N2O2/c1-3-45-39-21-19-29(33-17-9-13-27-11-5-7-15-31(27)33)23-35(39)43(47)37-26-42-38(25-41(37)45)44(48)36-24-30(20-22-40(36)46(42)4-2)34-18-10-14-28-12-6-8-16-32(28)34/h5-26H,3-4H2,1-2H3
InChIKeyATTNADBQIHYVLF-UHFFFAOYSA-N
XLogP10.30
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.75
LogP ≤ 510.30
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

5,12-diethyl-4,11-diphenylquinolino[2,3-b]acridine-7,14-dione
CID 138654426
3-naphthalen-1-yl-9-[6-(3-naphthalen-1-ylcarbazol-9-yl)hexyl]carbazole
CID 102196206
9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole
CID 155333067
9-ethyl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 167189399
2,5-bis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 139204592
2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole
CID 155334274
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
3-[3,5-bis(9-ethylcarbazol-3-yl)phenyl]-9-ethyl-1-[9-ethyl-6-[3-[3-[3-(9-ethylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 163418065
9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole
CID 141303114
5-[4-(8,14-dioxo-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)naphthalen-1-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,14-dione
CID 164707244
2,7-dinaphthalen-1-ylfluoren-9-one
CID 146504296
2,9-bis(1-benzothiophen-2-yl)-5,12-dibutylquinolino[2,3-b]acridine-7,14-dione
CID 138622628

Frequently Asked Questions

What is the IUPAC name of 5,12-diethyl-2,9-dinaphthalen-1-ylquinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 5,12-diethyl-2,9-dinaphthalen-1-ylquinolino[2,3-b]acridine-7,14-dione (CID 138622571) is 5,12-diethyl-2,9-dinaphthalen-1-ylquinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 5,12-diethyl-2,9-dinaphthalen-1-ylquinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 5,12-diethyl-2,9-dinaphthalen-1-ylquinolino[2,3-b]acridine-7,14-dione is CCn1c2ccc(-c3cccc4ccccc34)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2cccc4ccccc24)ccc1n3CC.
What is the InChIKey of 5,12-diethyl-2,9-dinaphthalen-1-ylquinolino[2,3-b]acridine-7,14-dione?
The InChIKey is ATTNADBQIHYVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2O2/c1-3-45-39-21-19-29(33-17-9-13-27-11-5-7-15-31(27)33)23-35(39)43(47)37-26-42-38(25-41(37)45)44(48)36-24-30(20-22-40(36)46(42)4-2)34-18-10-14-28-12-6-8-16-32(28)34/h5-26H,3-4H2,1-2H3.
What are the key properties of 5,12-diethyl-2,9-dinaphthalen-1-ylquinolino[2,3-b]acridine-7,14-dione?
5,12-diethyl-2,9-dinaphthalen-1-ylquinolino[2,3-b]acridine-7,14-dione has a molecular weight of 620.75 g/mol, XLogP of 10.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-diethyl-2,9-dinaphthalen-1-ylquinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 138622571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).