9-[3-[4-(5-butyl-2,9-dinaphthalen-1-yl-7,14-dioxoquinolino[2,3-b]acridin-12-yl)butyl]dibenzothiophen-4-yl]-1,3-difluoro-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione

C82H58F2N4O4S — CID 138622460

IUPAC9-[3-[4-(5-butyl-2,9-dinaphthalen-1-yl-7,14-dioxoquinolino[2,3-b]acridin-12-yl)butyl]dibenzothiophen-4-yl]-1,3-difluoro-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
SMILESCCCCn1c2ccc(-c3cccc4ccccc34)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2cccc4ccccc24)ccc1n3CCCCc1ccc2c(sc3ccccc32)c1-c1ccc2c(c1)c(=O)c1cc3c(cc1n2C)c(=O)c1c(F)cc(F)cc1n3C
InChIInChI=1S/C82H58F2N4O4S/c1-4-5-35-87-68-33-28-49(55-24-14-19-46-16-6-8-21-53(46)55)37-60(68)79(90)64-45-73-65(44-72(64)87)80(91)61-38-50(56-25-15-20-47-17-7-9-22-54(47)56)29-34-69(61)88(73)36-13-12-18-48-27-31-58-57-23-10-11-26-75(57)93-82(58)76(48)51-30-32-67-59(39-51)78(89)62-42-71-63(43-70(62)85(67)2)81(92)77-66(84)40-52(83)41-74(77)86(71)3/h6-11,14-17,19-34,37-45H,4-5,12-13,18,35-36H2,1-3H3
InChIKeyNQKWUVUTPTWQLJ-UHFFFAOYSA-N
MW1233.45 g/mol
LogP19.41
Rot. Bonds11

About 9-[3-[4-(5-butyl-2,9-dinaphthalen-1-yl-7,14-dioxoquinolino[2,3-b]acridin-12-yl)butyl]dibenzothiophen-4-yl]-1,3-difluoro-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione

9-[3-[4-(5-butyl-2,9-dinaphthalen-1-yl-7,14-dioxoquinolino[2,3-b]acridin-12-yl)butyl]dibenzothiophen-4-yl]-1,3-difluoro-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione (PubChem CID 138622460) has the molecular formula C82H58F2N4O4S and a molecular weight of 1233.45 g/mol. Its IUPAC name is 9-[3-[4-(5-butyl-2,9-dinaphthalen-1-yl-7,14-dioxoquinolino[2,3-b]acridin-12-yl)butyl]dibenzothiophen-4-yl]-1,3-difluoro-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name9-[3-[4-(5-butyl-2,9-dinaphthalen-1-yl-7,14-dioxoquinolino[2,3-b]acridin-12-yl)butyl]dibenzothiophen-4-yl]-1,3-difluoro-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
PubChem CID138622460
Molecular FormulaC82H58F2N4O4S
Molecular Weight1233.45 g/mol
Exact Mass1232.41
IUPAC Name9-[3-[4-(5-butyl-2,9-dinaphthalen-1-yl-7,14-dioxoquinolino[2,3-b]acridin-12-yl)butyl]dibenzothiophen-4-yl]-1,3-difluoro-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
SMILESCCCCn1c2ccc(-c3cccc4ccccc34)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2cccc4ccccc24)ccc1n3CCCCc1ccc2c(sc3ccccc32)c1-c1ccc2c(c1)c(=O)c1cc3c(cc1n2C)c(=O)c1c(F)cc(F)cc1n3C
InChIInChI=1S/C82H58F2N4O4S/c1-4-5-35-87-68-33-28-49(55-24-14-19-46-16-6-8-21-53(46)55)37-60(68)79(90)64-45-73-65(44-72(64)87)80(91)61-38-50(56-25-15-20-47-17-7-9-22-54(47)56)29-34-69(61)88(73)36-13-12-18-48-27-31-58-57-23-10-11-26-75(57)93-82(58)76(48)51-30-32-67-59(39-51)78(89)62-42-71-63(43-70(62)85(67)2)81(92)77-66(84)40-52(83)41-74(77)86(71)3/h6-11,14-17,19-34,37-45H,4-5,12-13,18,35-36H2,1-3H3
InChIKeyNQKWUVUTPTWQLJ-UHFFFAOYSA-N
XLogP19.41
TPSA88.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001233.45
LogP ≤ 519.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 9-[3-[4-(5-butyl-2,9-dinaphthalen-1-yl-7,14-dioxoquinolino[2,3-b]acridin-12-yl)butyl]dibenzothiophen-4-yl]-1,3-difluoro-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione 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

2,9-bis(1-benzothiophen-2-yl)-5,12-dibutylquinolino[2,3-b]acridine-7,14-dione
CID 138622628
5,12-diethyl-2,9-dinaphthalen-1-ylquinolino[2,3-b]acridine-7,14-dione
CID 138622571
3-naphthalen-1-yl-9-[6-(3-naphthalen-1-ylcarbazol-9-yl)hexyl]carbazole
CID 102196206
2,9-bis(1-benzothiophen-4-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 138622669
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
9,21-dimethyl-6,18-dinaphthalen-1-yl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59182288
3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 87156604
3-dibenzothiophen-4-yl-6-isocyano-9-methylcarbazole
CID 123287178
4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 122426136
11-hexyl-[1]benzothiolo[3,2-b]carbazole
CID 71062032
5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 167224268
5-(10-dibenzothiophen-4-yl-2-naphthalen-1-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 163526877

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(5-butyl-2,9-dinaphthalen-1-yl-7,14-dioxoquinolino[2,3-b]acridin-12-yl)butyl]dibenzothiophen-4-yl]-1,3-difluoro-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 9-[3-[4-(5-butyl-2,9-dinaphthalen-1-yl-7,14-dioxoquinolino[2,3-b]acridin-12-yl)butyl]dibenzothiophen-4-yl]-1,3-difluoro-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione (CID 138622460) is 9-[3-[4-(5-butyl-2,9-dinaphthalen-1-yl-7,14-dioxoquinolino[2,3-b]acridin-12-yl)butyl]dibenzothiophen-4-yl]-1,3-difluoro-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 9-[3-[4-(5-butyl-2,9-dinaphthalen-1-yl-7,14-dioxoquinolino[2,3-b]acridin-12-yl)butyl]dibenzothiophen-4-yl]-1,3-difluoro-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 9-[3-[4-(5-butyl-2,9-dinaphthalen-1-yl-7,14-dioxoquinolino[2,3-b]acridin-12-yl)butyl]dibenzothiophen-4-yl]-1,3-difluoro-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione is CCCCn1c2ccc(-c3cccc4ccccc34)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2cccc4ccccc24)ccc1n3CCCCc1ccc2c(sc3ccccc32)c1-c1ccc2c(c1)c(=O)c1cc3c(cc1n2C)c(=O)c1c(F)cc(F)cc1n3C.
What is the InChIKey of 9-[3-[4-(5-butyl-2,9-dinaphthalen-1-yl-7,14-dioxoquinolino[2,3-b]acridin-12-yl)butyl]dibenzothiophen-4-yl]-1,3-difluoro-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione?
The InChIKey is NQKWUVUTPTWQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H58F2N4O4S/c1-4-5-35-87-68-33-28-49(55-24-14-19-46-16-6-8-21-53(46)55)37-60(68)79(90)64-45-73-65(44-72(64)87)80(91)61-38-50(56-25-15-20-47-17-7-9-22-54(47)56)29-34-69(61)88(73)36-13-12-18-48-27-31-58-57-23-10-11-26-75(57)93-82(58)76(48)51-30-32-67-59(39-51)78(89)62-42-71-63(43-70(62)85(67)2)81(92)77-66(84)40-52(83)41-74(77)86(71)3/h6-11,14-17,19-34,37-45H,4-5,12-13,18,35-36H2,1-3H3.
What are the key properties of 9-[3-[4-(5-butyl-2,9-dinaphthalen-1-yl-7,14-dioxoquinolino[2,3-b]acridin-12-yl)butyl]dibenzothiophen-4-yl]-1,3-difluoro-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione?
9-[3-[4-(5-butyl-2,9-dinaphthalen-1-yl-7,14-dioxoquinolino[2,3-b]acridin-12-yl)butyl]dibenzothiophen-4-yl]-1,3-difluoro-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione has a molecular weight of 1233.45 g/mol, XLogP of 19.41, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(5-butyl-2,9-dinaphthalen-1-yl-7,14-dioxoquinolino[2,3-b]acridin-12-yl)butyl]dibenzothiophen-4-yl]-1,3-difluoro-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 138622460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).