7-(3,5-dipyridin-3-ylphenyl)-11,23-bis(4-fluorophenyl)-2,13-dimethyl-10-azapentacyclo[12.9.0.03,12.04,9.015,20]tricosa-1(14),2,4(9),5,7,10,12,15,17,19,21,22-dodecaene

C52H33F2N3 — CID 134591838

IUPAC7-(3,5-dipyridin-3-ylphenyl)-11,23-bis(4-fluorophenyl)-2,13-dimethyl-10-azapentacyclo[12.9.0.03,12.04,9.015,20]tricosa-1(14),2,4(9),5,7,10,12,15,17,19,21,22-dodecaene
SMILESCc1c2c(c(C)c3c1c(-c1ccc(F)cc1)nc1cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)ccc13)C(c1ccc(F)cc1)=C=Cc1ccccc1-2
InChIInChI=1S/C52H33F2N3/c1-31-48-45(34-11-17-42(53)18-12-34)21-15-33-7-3-4-10-44(33)49(48)32(2)51-50(31)46-22-16-36(28-47(46)57-52(51)35-13-19-43(54)20-14-35)39-25-40(37-8-5-23-55-29-37)27-41(26-39)38-9-6-24-56-30-38/h3-20,22-30H,1-2H3
InChIKeyOUJZTXUAGNFAQE-UHFFFAOYSA-N
MW737.85 g/mol
LogP13.47
Rot. Bonds5

About 7-(3,5-dipyridin-3-ylphenyl)-11,23-bis(4-fluorophenyl)-2,13-dimethyl-10-azapentacyclo[12.9.0.03,12.04,9.015,20]tricosa-1(14),2,4(9),5,7,10,12,15,17,19,21,22-dodecaene

7-(3,5-dipyridin-3-ylphenyl)-11,23-bis(4-fluorophenyl)-2,13-dimethyl-10-azapentacyclo[12.9.0.03,12.04,9.015,20]tricosa-1(14),2,4(9),5,7,10,12,15,17,19,21,22-dodecaene (PubChem CID 134591838) has the molecular formula C52H33F2N3 and a molecular weight of 737.85 g/mol. Its IUPAC name is 7-(3,5-dipyridin-3-ylphenyl)-11,23-bis(4-fluorophenyl)-2,13-dimethyl-10-azapentacyclo[12.9.0.03,12.04,9.015,20]tricosa-1(14),2,4(9),5,7,10,12,15,17,19,21,22-dodecaene.

Molecular Properties

Compound Name7-(3,5-dipyridin-3-ylphenyl)-11,23-bis(4-fluorophenyl)-2,13-dimethyl-10-azapentacyclo[12.9.0.03,12.04,9.015,20]tricosa-1(14),2,4(9),5,7,10,12,15,17,19,21,22-dodecaene
PubChem CID134591838
Molecular FormulaC52H33F2N3
Molecular Weight737.85 g/mol
Exact Mass737.26
IUPAC Name7-(3,5-dipyridin-3-ylphenyl)-11,23-bis(4-fluorophenyl)-2,13-dimethyl-10-azapentacyclo[12.9.0.03,12.04,9.015,20]tricosa-1(14),2,4(9),5,7,10,12,15,17,19,21,22-dodecaene
SMILESCc1c2c(c(C)c3c1c(-c1ccc(F)cc1)nc1cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)ccc13)C(c1ccc(F)cc1)=C=Cc1ccccc1-2
InChIInChI=1S/C52H33F2N3/c1-31-48-45(34-11-17-42(53)18-12-34)21-15-33-7-3-4-10-44(33)49(48)32(2)51-50(31)46-22-16-36(28-47(46)57-52(51)35-13-19-43(54)20-14-35)39-25-40(37-8-5-23-55-29-37)27-41(26-39)38-9-6-24-56-30-38/h3-20,22-30H,1-2H3
InChIKeyOUJZTXUAGNFAQE-UHFFFAOYSA-N
XLogP13.47
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.85
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-(3,5-dipyridin-3-ylphenyl)-11,23-bis(4-fluorophenyl)-2,13-dimethyl-10-azapentacyclo[12.9.0.03,12.04,9.015,20]tricosa-1(14),2,4(9),5,7,10,12,15,17,19,21,22-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dipyridin-3-ylphenyl)-11,23-bis(4-fluorophenyl)-2,13-dimethyl-10-azapentacyclo[12.9.0.03,12.04,9.015,20]tricosa-1(14),2,4(9),5,7,10,12,15,17,19,21,22-dodecaene?
The IUPAC name of 7-(3,5-dipyridin-3-ylphenyl)-11,23-bis(4-fluorophenyl)-2,13-dimethyl-10-azapentacyclo[12.9.0.03,12.04,9.015,20]tricosa-1(14),2,4(9),5,7,10,12,15,17,19,21,22-dodecaene (CID 134591838) is 7-(3,5-dipyridin-3-ylphenyl)-11,23-bis(4-fluorophenyl)-2,13-dimethyl-10-azapentacyclo[12.9.0.03,12.04,9.015,20]tricosa-1(14),2,4(9),5,7,10,12,15,17,19,21,22-dodecaene.
What is the SMILES notation for 7-(3,5-dipyridin-3-ylphenyl)-11,23-bis(4-fluorophenyl)-2,13-dimethyl-10-azapentacyclo[12.9.0.03,12.04,9.015,20]tricosa-1(14),2,4(9),5,7,10,12,15,17,19,21,22-dodecaene?
The canonical SMILES for 7-(3,5-dipyridin-3-ylphenyl)-11,23-bis(4-fluorophenyl)-2,13-dimethyl-10-azapentacyclo[12.9.0.03,12.04,9.015,20]tricosa-1(14),2,4(9),5,7,10,12,15,17,19,21,22-dodecaene is Cc1c2c(c(C)c3c1c(-c1ccc(F)cc1)nc1cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)ccc13)C(c1ccc(F)cc1)=C=Cc1ccccc1-2.
What is the InChIKey of 7-(3,5-dipyridin-3-ylphenyl)-11,23-bis(4-fluorophenyl)-2,13-dimethyl-10-azapentacyclo[12.9.0.03,12.04,9.015,20]tricosa-1(14),2,4(9),5,7,10,12,15,17,19,21,22-dodecaene?
The InChIKey is OUJZTXUAGNFAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33F2N3/c1-31-48-45(34-11-17-42(53)18-12-34)21-15-33-7-3-4-10-44(33)49(48)32(2)51-50(31)46-22-16-36(28-47(46)57-52(51)35-13-19-43(54)20-14-35)39-25-40(37-8-5-23-55-29-37)27-41(26-39)38-9-6-24-56-30-38/h3-20,22-30H,1-2H3.
What are the key properties of 7-(3,5-dipyridin-3-ylphenyl)-11,23-bis(4-fluorophenyl)-2,13-dimethyl-10-azapentacyclo[12.9.0.03,12.04,9.015,20]tricosa-1(14),2,4(9),5,7,10,12,15,17,19,21,22-dodecaene?
7-(3,5-dipyridin-3-ylphenyl)-11,23-bis(4-fluorophenyl)-2,13-dimethyl-10-azapentacyclo[12.9.0.03,12.04,9.015,20]tricosa-1(14),2,4(9),5,7,10,12,15,17,19,21,22-dodecaene has a molecular weight of 737.85 g/mol, XLogP of 13.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dipyridin-3-ylphenyl)-11,23-bis(4-fluorophenyl)-2,13-dimethyl-10-azapentacyclo[12.9.0.03,12.04,9.015,20]tricosa-1(14),2,4(9),5,7,10,12,15,17,19,21,22-dodecaene is sourced from PubChem (CID 134591838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).