1,2,3,4,4a,6,6a,7,8,9,10,10a,11,12a-tetradecahydrobenzo[b]phenazine

C16H24N2 — CID 58823918

IUPAC1,2,3,4,4a,6,6a,7,8,9,10,10a,11,12a-tetradecahydrobenzo[b]phenazine
SMILESC1CCC2CC3=NC4CCCCC4N=C3CC2C1
InChIInChI=1S/C16H24N2/c1-2-6-12-10-16-15(9-11(12)5-1)17-13-7-3-4-8-14(13)18-16/h11-14H,1-10H2
InChIKeyMXFSXWKNZFDESN-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.79
Rot. Bonds

About 1,2,3,4,4a,6,6a,7,8,9,10,10a,11,12a-tetradecahydrobenzo[b]phenazine

1,2,3,4,4a,6,6a,7,8,9,10,10a,11,12a-tetradecahydrobenzo[b]phenazine (PubChem CID 58823918) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1,2,3,4,4a,6,6a,7,8,9,10,10a,11,12a-tetradecahydrobenzo[b]phenazine.

Molecular Properties

Compound Name1,2,3,4,4a,6,6a,7,8,9,10,10a,11,12a-tetradecahydrobenzo[b]phenazine
PubChem CID58823918
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1,2,3,4,4a,6,6a,7,8,9,10,10a,11,12a-tetradecahydrobenzo[b]phenazine
SMILESC1CCC2CC3=NC4CCCCC4N=C3CC2C1
InChIInChI=1S/C16H24N2/c1-2-6-12-10-16-15(9-11(12)5-1)17-13-7-3-4-8-14(13)18-16/h11-14H,1-10H2
InChIKeyMXFSXWKNZFDESN-UHFFFAOYSA-N
XLogP3.79
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,6,6a,7,8,9,10,10a,11,12a-tetradecahydrobenzo[b]phenazine?
The IUPAC name of 1,2,3,4,4a,6,6a,7,8,9,10,10a,11,12a-tetradecahydrobenzo[b]phenazine (CID 58823918) is 1,2,3,4,4a,6,6a,7,8,9,10,10a,11,12a-tetradecahydrobenzo[b]phenazine.
What is the SMILES notation for 1,2,3,4,4a,6,6a,7,8,9,10,10a,11,12a-tetradecahydrobenzo[b]phenazine?
The canonical SMILES for 1,2,3,4,4a,6,6a,7,8,9,10,10a,11,12a-tetradecahydrobenzo[b]phenazine is C1CCC2CC3=NC4CCCCC4N=C3CC2C1.
What is the InChIKey of 1,2,3,4,4a,6,6a,7,8,9,10,10a,11,12a-tetradecahydrobenzo[b]phenazine?
The InChIKey is MXFSXWKNZFDESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-6-12-10-16-15(9-11(12)5-1)17-13-7-3-4-8-14(13)18-16/h11-14H,1-10H2.
What are the key properties of 1,2,3,4,4a,6,6a,7,8,9,10,10a,11,12a-tetradecahydrobenzo[b]phenazine?
1,2,3,4,4a,6,6a,7,8,9,10,10a,11,12a-tetradecahydrobenzo[b]phenazine has a molecular weight of 244.38 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,6,6a,7,8,9,10,10a,11,12a-tetradecahydrobenzo[b]phenazine is sourced from PubChem (CID 58823918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).