5,11,17-tris(9,9-dimethylacridin-10-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione

C65H50N4O2 — CID 171599918

IUPAC5,11,17-tris(9,9-dimethylacridin-10-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)c(=O)c2cc(N4c5ccccc5C(C)(C)c5ccccc54)cc4c(=O)c5cc(N6c7ccccc7C(C)(C)c7ccccc76)ccc5n3c24)c2ccccc21
InChIInChI=1S/C65H50N4O2/c1-63(2)46-19-7-13-25-54(46)66(55-26-14-8-20-47(55)63)39-31-33-52-42(35-39)61(70)44-37-41(68-58-29-17-11-23-50(58)65(5,6)51-24-12-18-30-59(51)68)38-45-60(44)69(52)53-34-32-40(36-43(53)62(45)71)67-56-27-15-9-21-48(56)64(3,4)49-22-10-16-28-57(49)67/h7-38H,1-6H3
InChIKeyPYVMQZMOVQBALT-UHFFFAOYSA-N
MW919.14 g/mol
LogP15.88
Rot. Bonds3

About 5,11,17-tris(9,9-dimethylacridin-10-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione

5,11,17-tris(9,9-dimethylacridin-10-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione (PubChem CID 171599918) has the molecular formula C65H50N4O2 and a molecular weight of 919.14 g/mol. Its IUPAC name is 5,11,17-tris(9,9-dimethylacridin-10-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione.

Molecular Properties

Compound Name5,11,17-tris(9,9-dimethylacridin-10-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione
PubChem CID171599918
Molecular FormulaC65H50N4O2
Molecular Weight919.14 g/mol
Exact Mass918.39
IUPAC Name5,11,17-tris(9,9-dimethylacridin-10-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)c(=O)c2cc(N4c5ccccc5C(C)(C)c5ccccc54)cc4c(=O)c5cc(N6c7ccccc7C(C)(C)c7ccccc76)ccc5n3c24)c2ccccc21
InChIInChI=1S/C65H50N4O2/c1-63(2)46-19-7-13-25-54(46)66(55-26-14-8-20-47(55)63)39-31-33-52-42(35-39)61(70)44-37-41(68-58-29-17-11-23-50(58)65(5,6)51-24-12-18-30-59(51)68)38-45-60(44)69(52)53-34-32-40(36-43(53)62(45)71)67-56-27-15-9-21-48(56)64(3,4)49-22-10-16-28-57(49)67/h7-38H,1-6H3
InChIKeyPYVMQZMOVQBALT-UHFFFAOYSA-N
XLogP15.88
TPSA48.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.14
LogP ≤ 515.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5,11,17-tris(9,9-dimethylacridin-10-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione with MolForge

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Related Compounds

5-(2,7,9,9-tetramethylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 140943861
11-tert-butyl-5,17-di(phenothiazin-10-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione
CID 165100873
13,13-dimethyl-6-phenyl-1,6-diazaheptacyclo[15.11.1.02,15.05,14.07,12.021,29.023,28]nonacosa-2(15),3,5(14),7,9,11,17,19,21(29),23,25,27-dodecaene-16,22-dione
CID 165019954
9,9-dimethyl-10-phenanthren-3-ylacridine
CID 155173536
3-(9,9-dimethylacridin-10-yl)chromeno[3,2-b]xanthene-12,14-dione
CID 164765363
10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-dimethylacridine
CID 140928502
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
CID 137451115
CID 137451115
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771897
3-(9,9-dimethylacridin-10-yl)-6-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one
CID 121337021
10-[6-(9,9-dimethylacridin-10-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-9,9-dimethylacridine
CID 59219732

Frequently Asked Questions

What is the IUPAC name of 5,11,17-tris(9,9-dimethylacridin-10-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione?
The IUPAC name of 5,11,17-tris(9,9-dimethylacridin-10-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione (CID 171599918) is 5,11,17-tris(9,9-dimethylacridin-10-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione.
What is the SMILES notation for 5,11,17-tris(9,9-dimethylacridin-10-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione?
The canonical SMILES for 5,11,17-tris(9,9-dimethylacridin-10-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione is CC1(C)c2ccccc2N(c2ccc3c(c2)c(=O)c2cc(N4c5ccccc5C(C)(C)c5ccccc54)cc4c(=O)c5cc(N6c7ccccc7C(C)(C)c7ccccc76)ccc5n3c24)c2ccccc21.
What is the InChIKey of 5,11,17-tris(9,9-dimethylacridin-10-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione?
The InChIKey is PYVMQZMOVQBALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50N4O2/c1-63(2)46-19-7-13-25-54(46)66(55-26-14-8-20-47(55)63)39-31-33-52-42(35-39)61(70)44-37-41(68-58-29-17-11-23-50(58)65(5,6)51-24-12-18-30-59(51)68)38-45-60(44)69(52)53-34-32-40(36-43(53)62(45)71)67-56-27-15-9-21-48(56)64(3,4)49-22-10-16-28-57(49)67/h7-38H,1-6H3.
What are the key properties of 5,11,17-tris(9,9-dimethylacridin-10-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione?
5,11,17-tris(9,9-dimethylacridin-10-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione has a molecular weight of 919.14 g/mol, XLogP of 15.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,17-tris(9,9-dimethylacridin-10-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione is sourced from PubChem (CID 171599918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).