(2R)-10,12-dichloro-2-[2-(difluoromethoxy)phenyl]-6-phenyl-4-(4-propylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene

C31H24Cl2F2N4O — CID 2425377

IUPAC(2R)-10,12-dichloro-2-[2-(difluoromethoxy)phenyl]-6-phenyl-4-(4-propylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene
SMILESCCCc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccccc2OC(F)F)N2C=C(Cl)C=C(Cl)C2=N3)cc1
InChIInChI=1S/C31H24Cl2F2N4O/c1-2-8-19-13-15-20(16-14-19)27-26-28(23-11-6-7-12-25(23)40-31(34)35)38-18-21(32)17-24(33)29(38)36-30(26)39(37-27)22-9-4-3-5-10-22/h3-7,9-18,28,31H,2,8H2,1H3/t28-/m0/s1
InChIKeyUVOLJOGNBOLAAY-NDEPHWFRSA-N
MW577.46 g/mol
LogP8.74
Rot. Bonds7

About (2R)-10,12-dichloro-2-[2-(difluoromethoxy)phenyl]-6-phenyl-4-(4-propylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene

(2R)-10,12-dichloro-2-[2-(difluoromethoxy)phenyl]-6-phenyl-4-(4-propylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene (PubChem CID 2425377) has the molecular formula C31H24Cl2F2N4O and a molecular weight of 577.46 g/mol. Its IUPAC name is (2R)-10,12-dichloro-2-[2-(difluoromethoxy)phenyl]-6-phenyl-4-(4-propylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene.

Molecular Properties

Compound Name(2R)-10,12-dichloro-2-[2-(difluoromethoxy)phenyl]-6-phenyl-4-(4-propylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene
PubChem CID2425377
Molecular FormulaC31H24Cl2F2N4O
Molecular Weight577.46 g/mol
Exact Mass576.13
IUPAC Name(2R)-10,12-dichloro-2-[2-(difluoromethoxy)phenyl]-6-phenyl-4-(4-propylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene
SMILESCCCc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccccc2OC(F)F)N2C=C(Cl)C=C(Cl)C2=N3)cc1
InChIInChI=1S/C31H24Cl2F2N4O/c1-2-8-19-13-15-20(16-14-19)27-26-28(23-11-6-7-12-25(23)40-31(34)35)38-18-21(32)17-24(33)29(38)36-30(26)39(37-27)22-9-4-3-5-10-22/h3-7,9-18,28,31H,2,8H2,1H3/t28-/m0/s1
InChIKeyUVOLJOGNBOLAAY-NDEPHWFRSA-N
XLogP8.74
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.46
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-10,12-dichloro-2-[2-(difluoromethoxy)phenyl]-6-phenyl-4-(4-propylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene 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 (2R)-10,12-dichloro-2-[2-(difluoromethoxy)phenyl]-6-phenyl-4-(4-propylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene?
The IUPAC name of (2R)-10,12-dichloro-2-[2-(difluoromethoxy)phenyl]-6-phenyl-4-(4-propylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene (CID 2425377) is (2R)-10,12-dichloro-2-[2-(difluoromethoxy)phenyl]-6-phenyl-4-(4-propylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene.
What is the SMILES notation for (2R)-10,12-dichloro-2-[2-(difluoromethoxy)phenyl]-6-phenyl-4-(4-propylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene?
The canonical SMILES for (2R)-10,12-dichloro-2-[2-(difluoromethoxy)phenyl]-6-phenyl-4-(4-propylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene is CCCc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccccc2OC(F)F)N2C=C(Cl)C=C(Cl)C2=N3)cc1.
What is the InChIKey of (2R)-10,12-dichloro-2-[2-(difluoromethoxy)phenyl]-6-phenyl-4-(4-propylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene?
The InChIKey is UVOLJOGNBOLAAY-NDEPHWFRSA-N. The full InChI is InChI=1S/C31H24Cl2F2N4O/c1-2-8-19-13-15-20(16-14-19)27-26-28(23-11-6-7-12-25(23)40-31(34)35)38-18-21(32)17-24(33)29(38)36-30(26)39(37-27)22-9-4-3-5-10-22/h3-7,9-18,28,31H,2,8H2,1H3/t28-/m0/s1.
What are the key properties of (2R)-10,12-dichloro-2-[2-(difluoromethoxy)phenyl]-6-phenyl-4-(4-propylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene?
(2R)-10,12-dichloro-2-[2-(difluoromethoxy)phenyl]-6-phenyl-4-(4-propylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene has a molecular weight of 577.46 g/mol, XLogP of 8.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-10,12-dichloro-2-[2-(difluoromethoxy)phenyl]-6-phenyl-4-(4-propylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene is sourced from PubChem (CID 2425377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).