10-[4-(12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.022,31.024,29]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,24,26,28,31-tetradecaen-9-yl)phenyl]acridin-9-one

C55H35N3O — CID 137426301

IUPAC10-[4-(12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.022,31.024,29]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,24,26,28,31-tetradecaen-9-yl)phenyl]acridin-9-one
SMILESO=c1c2ccccc2n(-c2ccc(-n3c4ccccc4c4c5cc6c(cc5c5c7ccccc7n(-c7ccccc7)c5c43)Cc3ccccc3C6)cc2)c2ccccc12
InChIInChI=1S/C55H35N3O/c59-55-43-20-8-12-24-49(43)56(50-25-13-9-21-44(50)55)39-26-28-40(29-27-39)58-48-23-11-7-19-42(48)52-46-33-37-31-35-15-5-4-14-34(35)30-36(37)32-45(46)51-41-18-6-10-22-47(41)57(53(51)54(52)58)38-16-2-1-3-17-38/h1-29,32-33H,30-31H2
InChIKeyDHUNHBLKIIXYOT-UHFFFAOYSA-N
MW753.91 g/mol
LogP12.99
Rot. Bonds3

About 10-[4-(12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.022,31.024,29]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,24,26,28,31-tetradecaen-9-yl)phenyl]acridin-9-one

10-[4-(12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.022,31.024,29]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,24,26,28,31-tetradecaen-9-yl)phenyl]acridin-9-one (PubChem CID 137426301) has the molecular formula C55H35N3O and a molecular weight of 753.91 g/mol. Its IUPAC name is 10-[4-(12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.022,31.024,29]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,24,26,28,31-tetradecaen-9-yl)phenyl]acridin-9-one.

Molecular Properties

Compound Name10-[4-(12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.022,31.024,29]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,24,26,28,31-tetradecaen-9-yl)phenyl]acridin-9-one
PubChem CID137426301
Molecular FormulaC55H35N3O
Molecular Weight753.91 g/mol
Exact Mass753.28
IUPAC Name10-[4-(12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.022,31.024,29]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,24,26,28,31-tetradecaen-9-yl)phenyl]acridin-9-one
SMILESO=c1c2ccccc2n(-c2ccc(-n3c4ccccc4c4c5cc6c(cc5c5c7ccccc7n(-c7ccccc7)c5c43)Cc3ccccc3C6)cc2)c2ccccc12
InChIInChI=1S/C55H35N3O/c59-55-43-20-8-12-24-49(43)56(50-25-13-9-21-44(50)55)39-26-28-40(29-27-39)58-48-23-11-7-19-42(48)52-46-33-37-31-35-15-5-4-14-34(35)30-36(37)32-45(46)51-41-18-6-10-22-47(41)57(53(51)54(52)58)38-16-2-1-3-17-38/h1-29,32-33H,30-31H2
InChIKeyDHUNHBLKIIXYOT-UHFFFAOYSA-N
XLogP12.99
TPSA31.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.91
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-[4-(12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.022,31.024,29]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,24,26,28,31-tetradecaen-9-yl)phenyl]acridin-9-one 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

9-phenyl-12-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.022,31.024,29]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,24,26,28,31-tetradecaene
CID 137426258
9-phenyl-12-(9-phenyl-1,10-phenanthrolin-2-yl)-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.022,31.024,29]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,24,26,28,31-tetradecaene
CID 137426268
12,12-dimethyl-9-(9-phenylcarbazol-3-yl)-9-azaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.022,31.024,29]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,24,26,28,31-tetradecaene
CID 137426337
5,7-diphenylquinolino[3,2-b]acridine-12,14-dione
CID 146333918
3,19-diphenyl-3,19-diazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),4,6,8,12,14,16,20,22,24-undecaene-10,26-dione
CID 146334080
5-(9H-fluoren-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 130417397
5-(9H-fluoren-3-yl)-12-phenylindolo[3,2-c]carbazole
CID 121289125
10-carbazol-9-yl-7,12-dihydronaphtho[2,3-b]xanthen-14-one
CID 164850216
10-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]acridin-9-one
CID 91612597
9,18-diphenyl-21-(4-phenylphenyl)-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 138729666
18-phenyl-9,21-bis(4-phenylphenyl)-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 138729733
9-[7-(9H-fluoren-2-yl)-9H-fluoren-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170285115

Frequently Asked Questions

What is the IUPAC name of 10-[4-(12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.022,31.024,29]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,24,26,28,31-tetradecaen-9-yl)phenyl]acridin-9-one?
The IUPAC name of 10-[4-(12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.022,31.024,29]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,24,26,28,31-tetradecaen-9-yl)phenyl]acridin-9-one (CID 137426301) is 10-[4-(12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.022,31.024,29]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,24,26,28,31-tetradecaen-9-yl)phenyl]acridin-9-one.
What is the SMILES notation for 10-[4-(12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.022,31.024,29]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,24,26,28,31-tetradecaen-9-yl)phenyl]acridin-9-one?
The canonical SMILES for 10-[4-(12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.022,31.024,29]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,24,26,28,31-tetradecaen-9-yl)phenyl]acridin-9-one is O=c1c2ccccc2n(-c2ccc(-n3c4ccccc4c4c5cc6c(cc5c5c7ccccc7n(-c7ccccc7)c5c43)Cc3ccccc3C6)cc2)c2ccccc12.
What is the InChIKey of 10-[4-(12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.022,31.024,29]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,24,26,28,31-tetradecaen-9-yl)phenyl]acridin-9-one?
The InChIKey is DHUNHBLKIIXYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O/c59-55-43-20-8-12-24-49(43)56(50-25-13-9-21-44(50)55)39-26-28-40(29-27-39)58-48-23-11-7-19-42(48)52-46-33-37-31-35-15-5-4-14-34(35)30-36(37)32-45(46)51-41-18-6-10-22-47(41)57(53(51)54(52)58)38-16-2-1-3-17-38/h1-29,32-33H,30-31H2.
What are the key properties of 10-[4-(12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.022,31.024,29]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,24,26,28,31-tetradecaen-9-yl)phenyl]acridin-9-one?
10-[4-(12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.022,31.024,29]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,24,26,28,31-tetradecaen-9-yl)phenyl]acridin-9-one has a molecular weight of 753.91 g/mol, XLogP of 12.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.022,31.024,29]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,24,26,28,31-tetradecaen-9-yl)phenyl]acridin-9-one is sourced from PubChem (CID 137426301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).