7,11-dimethyl-3-phenyl-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene

C25H24N4 — CID 22249955

IUPAC7,11-dimethyl-3-phenyl-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
SMILESCc1cc(C)c(-c2c(C)nn3c2nc(C)c2ccn(-c4ccccc4)c23)c(C)c1
InChIInChI=1S/C25H24N4/c1-15-13-16(2)22(17(3)14-15)23-19(5)27-29-24(23)26-18(4)21-11-12-28(25(21)29)20-9-7-6-8-10-20/h6-14H,1-5H3
InChIKeyLMLRHWBQLUZFSC-UHFFFAOYSA-N
MW380.50 g/mol
LogP5.88
Rot. Bonds2

About 7,11-dimethyl-3-phenyl-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene

7,11-dimethyl-3-phenyl-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene (PubChem CID 22249955) has the molecular formula C25H24N4 and a molecular weight of 380.50 g/mol. Its IUPAC name is 7,11-dimethyl-3-phenyl-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene.

Molecular Properties

Compound Name7,11-dimethyl-3-phenyl-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
PubChem CID22249955
Molecular FormulaC25H24N4
Molecular Weight380.50 g/mol
Exact Mass380.20
IUPAC Name7,11-dimethyl-3-phenyl-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
SMILESCc1cc(C)c(-c2c(C)nn3c2nc(C)c2ccn(-c4ccccc4)c23)c(C)c1
InChIInChI=1S/C25H24N4/c1-15-13-16(2)22(17(3)14-15)23-19(5)27-29-24(23)26-18(4)21-11-12-28(25(21)29)20-9-7-6-8-10-20/h6-14H,1-5H3
InChIKeyLMLRHWBQLUZFSC-UHFFFAOYSA-N
XLogP5.88
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.50
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7,11-dimethyl-3-phenyl-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,11-dimethyl-3-phenyl-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene?
The IUPAC name of 7,11-dimethyl-3-phenyl-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene (CID 22249955) is 7,11-dimethyl-3-phenyl-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene.
What is the SMILES notation for 7,11-dimethyl-3-phenyl-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene?
The canonical SMILES for 7,11-dimethyl-3-phenyl-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene is Cc1cc(C)c(-c2c(C)nn3c2nc(C)c2ccn(-c4ccccc4)c23)c(C)c1.
What is the InChIKey of 7,11-dimethyl-3-phenyl-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene?
The InChIKey is LMLRHWBQLUZFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4/c1-15-13-16(2)22(17(3)14-15)23-19(5)27-29-24(23)26-18(4)21-11-12-28(25(21)29)20-9-7-6-8-10-20/h6-14H,1-5H3.
What are the key properties of 7,11-dimethyl-3-phenyl-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene?
7,11-dimethyl-3-phenyl-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene has a molecular weight of 380.50 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11-dimethyl-3-phenyl-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene is sourced from PubChem (CID 22249955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).