5-methyl-1,2,10-tri(propan-2-yl)phenazine

C22H30N2 — CID 118217245

IUPAC5-methyl-1,2,10-tri(propan-2-yl)phenazine
SMILESCC(C)c1ccc2c(c1C(C)C)N(C(C)C)c1ccccc1N2C
InChIInChI=1S/C22H30N2/c1-14(2)17-12-13-20-22(21(17)15(3)4)24(16(5)6)19-11-9-8-10-18(19)23(20)7/h8-16H,1-7H3
InChIKeyNKSVQLBEPVRSBP-UHFFFAOYSA-N
MW322.50 g/mol
LogP6.56
Rot. Bonds3

About 5-methyl-1,2,10-tri(propan-2-yl)phenazine

5-methyl-1,2,10-tri(propan-2-yl)phenazine (PubChem CID 118217245) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 5-methyl-1,2,10-tri(propan-2-yl)phenazine.

Molecular Properties

Compound Name5-methyl-1,2,10-tri(propan-2-yl)phenazine
PubChem CID118217245
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name5-methyl-1,2,10-tri(propan-2-yl)phenazine
SMILESCC(C)c1ccc2c(c1C(C)C)N(C(C)C)c1ccccc1N2C
InChIInChI=1S/C22H30N2/c1-14(2)17-12-13-20-22(21(17)15(3)4)24(16(5)6)19-11-9-8-10-18(19)23(20)7/h8-16H,1-7H3
InChIKeyNKSVQLBEPVRSBP-UHFFFAOYSA-N
XLogP6.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2,10-tri(propan-2-yl)phenazine?
The IUPAC name of 5-methyl-1,2,10-tri(propan-2-yl)phenazine (CID 118217245) is 5-methyl-1,2,10-tri(propan-2-yl)phenazine.
What is the SMILES notation for 5-methyl-1,2,10-tri(propan-2-yl)phenazine?
The canonical SMILES for 5-methyl-1,2,10-tri(propan-2-yl)phenazine is CC(C)c1ccc2c(c1C(C)C)N(C(C)C)c1ccccc1N2C.
What is the InChIKey of 5-methyl-1,2,10-tri(propan-2-yl)phenazine?
The InChIKey is NKSVQLBEPVRSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-14(2)17-12-13-20-22(21(17)15(3)4)24(16(5)6)19-11-9-8-10-18(19)23(20)7/h8-16H,1-7H3.
What are the key properties of 5-methyl-1,2,10-tri(propan-2-yl)phenazine?
5-methyl-1,2,10-tri(propan-2-yl)phenazine has a molecular weight of 322.50 g/mol, XLogP of 6.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2,10-tri(propan-2-yl)phenazine is sourced from PubChem (CID 118217245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).