1,3,6,6,9,10-hexamethyl-5H-benzo[a]phenazine

C22H24N2 — CID 3915458

IUPAC1,3,6,6,9,10-hexamethyl-5H-benzo[a]phenazine
SMILESCc1cc(C)c2c(c1)CC(C)(C)c1nc3cc(C)c(C)cc3nc1-2
InChIInChI=1S/C22H24N2/c1-12-7-15(4)19-16(8-12)11-22(5,6)21-20(19)23-17-9-13(2)14(3)10-18(17)24-21/h7-10H,11H2,1-6H3
InChIKeyXBIUYWHGXLBQME-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.36
Rot. Bonds

About 1,3,6,6,9,10-hexamethyl-5H-benzo[a]phenazine

1,3,6,6,9,10-hexamethyl-5H-benzo[a]phenazine (PubChem CID 3915458) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1,3,6,6,9,10-hexamethyl-5H-benzo[a]phenazine.

Molecular Properties

Compound Name1,3,6,6,9,10-hexamethyl-5H-benzo[a]phenazine
PubChem CID3915458
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name1,3,6,6,9,10-hexamethyl-5H-benzo[a]phenazine
SMILESCc1cc(C)c2c(c1)CC(C)(C)c1nc3cc(C)c(C)cc3nc1-2
InChIInChI=1S/C22H24N2/c1-12-7-15(4)19-16(8-12)11-22(5,6)21-20(19)23-17-9-13(2)14(3)10-18(17)24-21/h7-10H,11H2,1-6H3
InChIKeyXBIUYWHGXLBQME-UHFFFAOYSA-N
XLogP5.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,6,6,9,10-hexamethyl-5H-benzo[a]phenazine?
The IUPAC name of 1,3,6,6,9,10-hexamethyl-5H-benzo[a]phenazine (CID 3915458) is 1,3,6,6,9,10-hexamethyl-5H-benzo[a]phenazine.
What is the SMILES notation for 1,3,6,6,9,10-hexamethyl-5H-benzo[a]phenazine?
The canonical SMILES for 1,3,6,6,9,10-hexamethyl-5H-benzo[a]phenazine is Cc1cc(C)c2c(c1)CC(C)(C)c1nc3cc(C)c(C)cc3nc1-2.
What is the InChIKey of 1,3,6,6,9,10-hexamethyl-5H-benzo[a]phenazine?
The InChIKey is XBIUYWHGXLBQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-12-7-15(4)19-16(8-12)11-22(5,6)21-20(19)23-17-9-13(2)14(3)10-18(17)24-21/h7-10H,11H2,1-6H3.
What are the key properties of 1,3,6,6,9,10-hexamethyl-5H-benzo[a]phenazine?
1,3,6,6,9,10-hexamethyl-5H-benzo[a]phenazine has a molecular weight of 316.45 g/mol, XLogP of 5.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,6,9,10-hexamethyl-5H-benzo[a]phenazine is sourced from PubChem (CID 3915458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).