6,10-dimethyl-4,8,12-triphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene

C27H21N5 — CID 14788703

IUPAC6,10-dimethyl-4,8,12-triphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
SMILESCc1nn(-c2ccccc2)c2nc3c(c(C)nn3-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C27H21N5/c1-18-23-25(20-12-6-3-7-13-20)24-19(2)30-32(22-16-10-5-11-17-22)27(24)28-26(23)31(29-18)21-14-8-4-9-15-21/h3-17H,1-2H3
InChIKeyFKSNKFAIIOZTON-UHFFFAOYSA-N
MW415.50 g/mol
LogP6.04
Rot. Bonds3

About 6,10-dimethyl-4,8,12-triphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene

6,10-dimethyl-4,8,12-triphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene (PubChem CID 14788703) has the molecular formula C27H21N5 and a molecular weight of 415.50 g/mol. Its IUPAC name is 6,10-dimethyl-4,8,12-triphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene.

Molecular Properties

Compound Name6,10-dimethyl-4,8,12-triphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
PubChem CID14788703
Molecular FormulaC27H21N5
Molecular Weight415.50 g/mol
Exact Mass415.18
IUPAC Name6,10-dimethyl-4,8,12-triphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
SMILESCc1nn(-c2ccccc2)c2nc3c(c(C)nn3-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C27H21N5/c1-18-23-25(20-12-6-3-7-13-20)24-19(2)30-32(22-16-10-5-11-17-22)27(24)28-26(23)31(29-18)21-14-8-4-9-15-21/h3-17H,1-2H3
InChIKeyFKSNKFAIIOZTON-UHFFFAOYSA-N
XLogP6.04
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,10-dimethyl-4,8,12-triphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,10-dimethyl-4,8,12-triphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene?
The IUPAC name of 6,10-dimethyl-4,8,12-triphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene (CID 14788703) is 6,10-dimethyl-4,8,12-triphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene.
What is the SMILES notation for 6,10-dimethyl-4,8,12-triphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene?
The canonical SMILES for 6,10-dimethyl-4,8,12-triphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene is Cc1nn(-c2ccccc2)c2nc3c(c(C)nn3-c3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of 6,10-dimethyl-4,8,12-triphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene?
The InChIKey is FKSNKFAIIOZTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5/c1-18-23-25(20-12-6-3-7-13-20)24-19(2)30-32(22-16-10-5-11-17-22)27(24)28-26(23)31(29-18)21-14-8-4-9-15-21/h3-17H,1-2H3.
What are the key properties of 6,10-dimethyl-4,8,12-triphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene?
6,10-dimethyl-4,8,12-triphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene has a molecular weight of 415.50 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethyl-4,8,12-triphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene is sourced from PubChem (CID 14788703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).