6,10-bis(4-fluorophenyl)-4,12-diphenyl-2,4,5,8,11,12-hexazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene

C30H18F2N6 — CID 56590934

IUPAC6,10-bis(4-fluorophenyl)-4,12-diphenyl-2,4,5,8,11,12-hexazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
SMILESFc1ccc(-c2nn(-c3ccccc3)c3nc4c(nc23)c(-c2ccc(F)cc2)nn4-c2ccccc2)cc1
InChIInChI=1S/C30H18F2N6/c31-21-15-11-19(12-16-21)25-27-29(37(35-25)23-7-3-1-4-8-23)34-30-28(33-27)26(20-13-17-22(32)18-14-20)36-38(30)24-9-5-2-6-10-24/h1-18H
InChIKeyKZIFYDRSLGQBJC-UHFFFAOYSA-N
MW500.51 g/mol
LogP6.77
Rot. Bonds4

About 6,10-bis(4-fluorophenyl)-4,12-diphenyl-2,4,5,8,11,12-hexazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene

6,10-bis(4-fluorophenyl)-4,12-diphenyl-2,4,5,8,11,12-hexazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene (PubChem CID 56590934) has the molecular formula C30H18F2N6 and a molecular weight of 500.51 g/mol. Its IUPAC name is 6,10-bis(4-fluorophenyl)-4,12-diphenyl-2,4,5,8,11,12-hexazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene.

Molecular Properties

Compound Name6,10-bis(4-fluorophenyl)-4,12-diphenyl-2,4,5,8,11,12-hexazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
PubChem CID56590934
Molecular FormulaC30H18F2N6
Molecular Weight500.51 g/mol
Exact Mass500.16
IUPAC Name6,10-bis(4-fluorophenyl)-4,12-diphenyl-2,4,5,8,11,12-hexazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
SMILESFc1ccc(-c2nn(-c3ccccc3)c3nc4c(nc23)c(-c2ccc(F)cc2)nn4-c2ccccc2)cc1
InChIInChI=1S/C30H18F2N6/c31-21-15-11-19(12-16-21)25-27-29(37(35-25)23-7-3-1-4-8-23)34-30-28(33-27)26(20-13-17-22(32)18-14-20)36-38(30)24-9-5-2-6-10-24/h1-18H
InChIKeyKZIFYDRSLGQBJC-UHFFFAOYSA-N
XLogP6.77
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.51
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,10-bis(4-fluorophenyl)-4,12-diphenyl-2,4,5,8,11,12-hexazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-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 6,10-bis(4-fluorophenyl)-4,12-diphenyl-2,4,5,8,11,12-hexazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene?
The IUPAC name of 6,10-bis(4-fluorophenyl)-4,12-diphenyl-2,4,5,8,11,12-hexazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene (CID 56590934) is 6,10-bis(4-fluorophenyl)-4,12-diphenyl-2,4,5,8,11,12-hexazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene.
What is the SMILES notation for 6,10-bis(4-fluorophenyl)-4,12-diphenyl-2,4,5,8,11,12-hexazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene?
The canonical SMILES for 6,10-bis(4-fluorophenyl)-4,12-diphenyl-2,4,5,8,11,12-hexazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene is Fc1ccc(-c2nn(-c3ccccc3)c3nc4c(nc23)c(-c2ccc(F)cc2)nn4-c2ccccc2)cc1.
What is the InChIKey of 6,10-bis(4-fluorophenyl)-4,12-diphenyl-2,4,5,8,11,12-hexazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene?
The InChIKey is KZIFYDRSLGQBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18F2N6/c31-21-15-11-19(12-16-21)25-27-29(37(35-25)23-7-3-1-4-8-23)34-30-28(33-27)26(20-13-17-22(32)18-14-20)36-38(30)24-9-5-2-6-10-24/h1-18H.
What are the key properties of 6,10-bis(4-fluorophenyl)-4,12-diphenyl-2,4,5,8,11,12-hexazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene?
6,10-bis(4-fluorophenyl)-4,12-diphenyl-2,4,5,8,11,12-hexazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene has a molecular weight of 500.51 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-bis(4-fluorophenyl)-4,12-diphenyl-2,4,5,8,11,12-hexazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene is sourced from PubChem (CID 56590934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).