4,11-bis(2-fluorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;4,11-di(anthracen-9-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(phenanthren-9-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(pyren-2-yl)quinolino[2,3-b]acridine-7,14-dione

C188H118F2N8O8 — CID 158182554

IUPAC4,11-bis(2-fluorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;4,11-di(anthracen-9-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(phenanthren-9-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(pyren-2-yl)quinolino[2,3-b]acridine-7,14-dione
SMILESCn1c2cc3c(=O)c4cccc(-c5c6ccccc6cc6ccccc56)c4n(C)c3cc2c(=O)c2cccc(-c3c4ccccc4cc4ccccc34)c21.Cn1c2cc3c(=O)c4cccc(-c5cc6ccc7cccc8ccc(c5)c6c78)c4n(C)c3cc2c(=O)c2cccc(-c3cc4ccc5cccc6ccc(c3)c4c56)c21.Cn1c2cc3c(=O)c4cccc(-c5cc6ccccc6c6ccccc56)c4n(C)c3cc2c(=O)c2cccc(-c3cc4ccccc4c4ccccc34)c21.Cn1c2cc3c(=O)c4cccc(-c5ccccc5F)c4n(C)c3cc2c(=O)c2cccc(-c3ccccc3F)c21
InChIInChI=1S/C54H32N2O2.2C50H32N2O2.C34H22F2N2O2/c1-55-45-27-44-46(56(2)52-40(12-6-14-42(52)54(44)58)38-25-35-21-17-31-9-4-10-32-18-22-36(26-38)50(35)48(31)32)28-43(45)53(57)41-13-5-11-39(51(41)55)37-23-33-19-15-29-7-3-8-30-16-20-34(24-37)49(33)47(29)30;1-51-43-27-42-44(52(2)48-38(22-12-24-40(48)50(42)54)46-35-19-9-5-15-31(35)26-32-16-6-10-20-36(32)46)28-41(43)49(53)39-23-11-21-37(47(39)51)45-33-17-7-3-13-29(33)25-30-14-4-8-18-34(30)45;1-51-45-27-44-46(52(2)48-38(22-12-24-40(48)50(44)54)42-26-30-14-4-6-16-32(30)34-18-8-10-20-36(34)42)28-43(45)49(53)39-23-11-21-37(47(39)51)41-25-29-13-3-5-15-31(29)33-17-7-9-19-35(33)41;1-37-29-17-26-30(38(2)32-22(12-8-14-24(32)34(26)40)20-10-4-6-16-28(20)36)18-25(29)33(39)23-13-7-11-21(31(23)37)19-9-3-5-15-27(19)35/h3-28H,1-2H3;2*3-28H,1-2H3;3-18H,1-2H3
InChIKeyFYTSPZVZZVDPLY-UHFFFAOYSA-N
MW2655.06 g/mol
LogP43.42
Rot. Bonds8

About 4,11-bis(2-fluorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;4,11-di(anthracen-9-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(phenanthren-9-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(pyren-2-yl)quinolino[2,3-b]acridine-7,14-dione

4,11-bis(2-fluorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;4,11-di(anthracen-9-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(phenanthren-9-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(pyren-2-yl)quinolino[2,3-b]acridine-7,14-dione (PubChem CID 158182554) has the molecular formula C188H118F2N8O8 and a molecular weight of 2655.06 g/mol. Its IUPAC name is 4,11-bis(2-fluorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;4,11-di(anthracen-9-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(phenanthren-9-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(pyren-2-yl)quinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name4,11-bis(2-fluorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;4,11-di(anthracen-9-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(phenanthren-9-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(pyren-2-yl)quinolino[2,3-b]acridine-7,14-dione
PubChem CID158182554
Molecular FormulaC188H118F2N8O8
Molecular Weight2655.06 g/mol
Exact Mass2652.90
IUPAC Name4,11-bis(2-fluorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;4,11-di(anthracen-9-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(phenanthren-9-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(pyren-2-yl)quinolino[2,3-b]acridine-7,14-dione
SMILESCn1c2cc3c(=O)c4cccc(-c5c6ccccc6cc6ccccc56)c4n(C)c3cc2c(=O)c2cccc(-c3c4ccccc4cc4ccccc34)c21.Cn1c2cc3c(=O)c4cccc(-c5cc6ccc7cccc8ccc(c5)c6c78)c4n(C)c3cc2c(=O)c2cccc(-c3cc4ccc5cccc6ccc(c3)c4c56)c21.Cn1c2cc3c(=O)c4cccc(-c5cc6ccccc6c6ccccc56)c4n(C)c3cc2c(=O)c2cccc(-c3cc4ccccc4c4ccccc34)c21.Cn1c2cc3c(=O)c4cccc(-c5ccccc5F)c4n(C)c3cc2c(=O)c2cccc(-c3ccccc3F)c21
InChIInChI=1S/C54H32N2O2.2C50H32N2O2.C34H22F2N2O2/c1-55-45-27-44-46(56(2)52-40(12-6-14-42(52)54(44)58)38-25-35-21-17-31-9-4-10-32-18-22-36(26-38)50(35)48(31)32)28-43(45)53(57)41-13-5-11-39(51(41)55)37-23-33-19-15-29-7-3-8-30-16-20-34(24-37)49(33)47(29)30;1-51-43-27-42-44(52(2)48-38(22-12-24-40(48)50(42)54)46-35-19-9-5-15-31(35)26-32-16-6-10-20-36(32)46)28-41(43)49(53)39-23-11-21-37(47(39)51)45-33-17-7-3-13-29(33)25-30-14-4-8-18-34(30)45;1-51-45-27-44-46(52(2)48-38(22-12-24-40(48)50(44)54)42-26-30-14-4-6-16-32(30)34-18-8-10-20-36(34)42)28-43(45)49(53)39-23-11-21-37(47(39)51)41-25-29-13-3-5-15-31(29)33-17-7-9-19-35(33)41;1-37-29-17-26-30(38(2)32-22(12-8-14-24(32)34(26)40)20-10-4-6-16-28(20)36)18-25(29)33(39)23-13-7-11-21(31(23)37)19-9-3-5-15-27(19)35/h3-28H,1-2H3;2*3-28H,1-2H3;3-18H,1-2H3
InChIKeyFYTSPZVZZVDPLY-UHFFFAOYSA-N
XLogP43.42
TPSA176.00 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002655.06
LogP ≤ 543.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4,11-bis(2-fluorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;4,11-di(anthracen-9-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(phenanthren-9-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(pyren-2-yl)quinolino[2,3-b]acridine-7,14-dione with MolForge

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Related Compounds

5,12-dimethyl-4,11-di(pyren-2-yl)-7a,11a-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 163700776
4,11-bis(2-methoxyphenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 138654549
4-phenanthren-9-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167410426
undecacyclo[27.11.1.111,15.02,28.04,26.05,23.08,22.010,20.030,35.037,41.019,42]dotetraconta-1(40),2(28),3,5(23),6,8,10(20),11,13,15(42),16,18,21,24,26,29(41),30,32,34,36,38-henicosaene
CID 163913395
1,5-di(phenanthren-9-yl)pyrene
CID 155759767
5,12-di(pyren-2-yl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene
CID 58479702
9,10-dinaphthalen-1-ylanthracene;4-(10-naphthalen-1-ylanthracen-9-yl)pyrene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-phenanthren-9-ylanthracene;9-naphthalen-2-yl-10-phenanthren-9-ylanthracene;4-(10-phenylanthracen-9-yl)pyrene
CID 157157236
2-anthracen-9-yl-7-(4-fluorophenyl)pyrene
CID 167155067
5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 2844779
5,12-diethyl-4,11-diphenylquinolino[2,3-b]acridine-7,14-dione
CID 138654426
11-methyl-8-pyren-1-ylbenzo[a]carbazole
CID 58410605
cyclopenta[a]fluorene-1,2-dione
CID 87349541

Frequently Asked Questions

What is the IUPAC name of 4,11-bis(2-fluorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;4,11-di(anthracen-9-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(phenanthren-9-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(pyren-2-yl)quinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 4,11-bis(2-fluorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;4,11-di(anthracen-9-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(phenanthren-9-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(pyren-2-yl)quinolino[2,3-b]acridine-7,14-dione (CID 158182554) is 4,11-bis(2-fluorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;4,11-di(anthracen-9-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(phenanthren-9-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(pyren-2-yl)quinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 4,11-bis(2-fluorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;4,11-di(anthracen-9-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(phenanthren-9-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(pyren-2-yl)quinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 4,11-bis(2-fluorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;4,11-di(anthracen-9-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(phenanthren-9-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(pyren-2-yl)quinolino[2,3-b]acridine-7,14-dione is Cn1c2cc3c(=O)c4cccc(-c5c6ccccc6cc6ccccc56)c4n(C)c3cc2c(=O)c2cccc(-c3c4ccccc4cc4ccccc34)c21.Cn1c2cc3c(=O)c4cccc(-c5cc6ccc7cccc8ccc(c5)c6c78)c4n(C)c3cc2c(=O)c2cccc(-c3cc4ccc5cccc6ccc(c3)c4c56)c21.Cn1c2cc3c(=O)c4cccc(-c5cc6ccccc6c6ccccc56)c4n(C)c3cc2c(=O)c2cccc(-c3cc4ccccc4c4ccccc34)c21.Cn1c2cc3c(=O)c4cccc(-c5ccccc5F)c4n(C)c3cc2c(=O)c2cccc(-c3ccccc3F)c21.
What is the InChIKey of 4,11-bis(2-fluorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;4,11-di(anthracen-9-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(phenanthren-9-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(pyren-2-yl)quinolino[2,3-b]acridine-7,14-dione?
The InChIKey is FYTSPZVZZVDPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2O2.2C50H32N2O2.C34H22F2N2O2/c1-55-45-27-44-46(56(2)52-40(12-6-14-42(52)54(44)58)38-25-35-21-17-31-9-4-10-32-18-22-36(26-38)50(35)48(31)32)28-43(45)53(57)41-13-5-11-39(51(41)55)37-23-33-19-15-29-7-3-8-30-16-20-34(24-37)49(33)47(29)30;1-51-43-27-42-44(52(2)48-38(22-12-24-40(48)50(42)54)46-35-19-9-5-15-31(35)26-32-16-6-10-20-36(32)46)28-41(43)49(53)39-23-11-21-37(47(39)51)45-33-17-7-3-13-29(33)25-30-14-4-8-18-34(30)45;1-51-45-27-44-46(52(2)48-38(22-12-24-40(48)50(44)54)42-26-30-14-4-6-16-32(30)34-18-8-10-20-36(34)42)28-43(45)49(53)39-23-11-21-37(47(39)51)41-25-29-13-3-5-15-31(29)33-17-7-9-19-35(33)41;1-37-29-17-26-30(38(2)32-22(12-8-14-24(32)34(26)40)20-10-4-6-16-28(20)36)18-25(29)33(39)23-13-7-11-21(31(23)37)19-9-3-5-15-27(19)35/h3-28H,1-2H3;2*3-28H,1-2H3;3-18H,1-2H3.
What are the key properties of 4,11-bis(2-fluorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;4,11-di(anthracen-9-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(phenanthren-9-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(pyren-2-yl)quinolino[2,3-b]acridine-7,14-dione?
4,11-bis(2-fluorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;4,11-di(anthracen-9-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(phenanthren-9-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(pyren-2-yl)quinolino[2,3-b]acridine-7,14-dione has a molecular weight of 2655.06 g/mol, XLogP of 43.42, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-bis(2-fluorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;4,11-di(anthracen-9-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(phenanthren-9-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(pyren-2-yl)quinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 158182554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).