10,13-dichloro-4-phenyl-2,4,5,11,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene

C14H7Cl2N5 — CID 10064325

IUPAC10,13-dichloro-4-phenyl-2,4,5,11,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene
SMILESClc1nnc(Cl)c2nc3c(cnn3-c3ccccc3)cc12
InChIInChI=1S/C14H7Cl2N5/c15-12-10-6-8-7-17-21(9-4-2-1-3-5-9)14(8)18-11(10)13(16)20-19-12/h1-7H
InChIKeyFLIXNNPIZBBTCC-UHFFFAOYSA-N
MW316.15 g/mol
LogP3.67
Rot. Bonds1

About 10,13-dichloro-4-phenyl-2,4,5,11,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene

10,13-dichloro-4-phenyl-2,4,5,11,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene (PubChem CID 10064325) has the molecular formula C14H7Cl2N5 and a molecular weight of 316.15 g/mol. Its IUPAC name is 10,13-dichloro-4-phenyl-2,4,5,11,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene.

Molecular Properties

Compound Name10,13-dichloro-4-phenyl-2,4,5,11,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene
PubChem CID10064325
Molecular FormulaC14H7Cl2N5
Molecular Weight316.15 g/mol
Exact Mass315.01
IUPAC Name10,13-dichloro-4-phenyl-2,4,5,11,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene
SMILESClc1nnc(Cl)c2nc3c(cnn3-c3ccccc3)cc12
InChIInChI=1S/C14H7Cl2N5/c15-12-10-6-8-7-17-21(9-4-2-1-3-5-9)14(8)18-11(10)13(16)20-19-12/h1-7H
InChIKeyFLIXNNPIZBBTCC-UHFFFAOYSA-N
XLogP3.67
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10,13-dichloro-4-phenyl-2,4,5,11,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene 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

5-(diethylamino)-15-phenyl-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one
CID 57381821
1-phenyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine
CID 141095128
5-chloro-1-phenylpyrazol-4-ol
CID 117232897
1-pyridin-4-ylpyrazolo[3,4-b]quinoline
CID 152709994
dimethyl 1-phenylpyrazolo[3,4-b]pyridine-5,6-dicarboxylate
CID 10041105
5-(2-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 15207261
6-methylsulfonyl-1-phenylpyrazolo[3,4-d]pyrimidine
CID 131865944
1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine
CID 146709658
2-chloro-5-nitro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),2,4,6,8,10,12,15-octaene
CID 71593660
1-phenylindazol-5-amine
CID 83414114
2-chloro-4-methyl-14-phenyl-7,9,13,14,16-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11(15),12,16-octaene
CID 71593631
1-phenyl-4,6-bis(trifluoromethyl)pyrazolo[3,4-d]pyrimidine
CID 11232823

Frequently Asked Questions

What is the IUPAC name of 10,13-dichloro-4-phenyl-2,4,5,11,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene?
The IUPAC name of 10,13-dichloro-4-phenyl-2,4,5,11,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene (CID 10064325) is 10,13-dichloro-4-phenyl-2,4,5,11,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene.
What is the SMILES notation for 10,13-dichloro-4-phenyl-2,4,5,11,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene?
The canonical SMILES for 10,13-dichloro-4-phenyl-2,4,5,11,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene is Clc1nnc(Cl)c2nc3c(cnn3-c3ccccc3)cc12.
What is the InChIKey of 10,13-dichloro-4-phenyl-2,4,5,11,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene?
The InChIKey is FLIXNNPIZBBTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2N5/c15-12-10-6-8-7-17-21(9-4-2-1-3-5-9)14(8)18-11(10)13(16)20-19-12/h1-7H.
What are the key properties of 10,13-dichloro-4-phenyl-2,4,5,11,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene?
10,13-dichloro-4-phenyl-2,4,5,11,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene has a molecular weight of 316.15 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10,13-dichloro-4-phenyl-2,4,5,11,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene is sourced from PubChem (CID 10064325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).