5,10-dimethyl-2-[2-methyl-10-(4-phenylphenyl)anthracen-9-yl]phenazine

C41H32N2 — CID 59195172

IUPAC5,10-dimethyl-2-[2-methyl-10-(4-phenylphenyl)anthracen-9-yl]phenazine
SMILESCc1ccc2c(-c3ccc(-c4ccccc4)cc3)c3ccccc3c(-c3ccc4c(c3)N(C)c3ccccc3N4C)c2c1
InChIInChI=1S/C41H32N2/c1-27-17-23-34-35(25-27)41(31-22-24-38-39(26-31)43(3)37-16-10-9-15-36(37)42(38)2)33-14-8-7-13-32(33)40(34)30-20-18-29(19-21-30)28-11-5-4-6-12-28/h4-26H,1-3H3
InChIKeyZIQADBSFRKKNIZ-UHFFFAOYSA-N
MW552.72 g/mol
LogP11.15
Rot. Bonds3

About 5,10-dimethyl-2-[2-methyl-10-(4-phenylphenyl)anthracen-9-yl]phenazine

5,10-dimethyl-2-[2-methyl-10-(4-phenylphenyl)anthracen-9-yl]phenazine (PubChem CID 59195172) has the molecular formula C41H32N2 and a molecular weight of 552.72 g/mol. Its IUPAC name is 5,10-dimethyl-2-[2-methyl-10-(4-phenylphenyl)anthracen-9-yl]phenazine.

Molecular Properties

Compound Name5,10-dimethyl-2-[2-methyl-10-(4-phenylphenyl)anthracen-9-yl]phenazine
PubChem CID59195172
Molecular FormulaC41H32N2
Molecular Weight552.72 g/mol
Exact Mass552.26
IUPAC Name5,10-dimethyl-2-[2-methyl-10-(4-phenylphenyl)anthracen-9-yl]phenazine
SMILESCc1ccc2c(-c3ccc(-c4ccccc4)cc3)c3ccccc3c(-c3ccc4c(c3)N(C)c3ccccc3N4C)c2c1
InChIInChI=1S/C41H32N2/c1-27-17-23-34-35(25-27)41(31-22-24-38-39(26-31)43(3)37-16-10-9-15-36(37)42(38)2)33-14-8-7-13-32(33)40(34)30-20-18-29(19-21-30)28-11-5-4-6-12-28/h4-26H,1-3H3
InChIKeyZIQADBSFRKKNIZ-UHFFFAOYSA-N
XLogP11.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.72
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,10-dimethyl-2-[2-methyl-10-(4-phenylphenyl)anthracen-9-yl]phenazine?
The IUPAC name of 5,10-dimethyl-2-[2-methyl-10-(4-phenylphenyl)anthracen-9-yl]phenazine (CID 59195172) is 5,10-dimethyl-2-[2-methyl-10-(4-phenylphenyl)anthracen-9-yl]phenazine.
What is the SMILES notation for 5,10-dimethyl-2-[2-methyl-10-(4-phenylphenyl)anthracen-9-yl]phenazine?
The canonical SMILES for 5,10-dimethyl-2-[2-methyl-10-(4-phenylphenyl)anthracen-9-yl]phenazine is Cc1ccc2c(-c3ccc(-c4ccccc4)cc3)c3ccccc3c(-c3ccc4c(c3)N(C)c3ccccc3N4C)c2c1.
What is the InChIKey of 5,10-dimethyl-2-[2-methyl-10-(4-phenylphenyl)anthracen-9-yl]phenazine?
The InChIKey is ZIQADBSFRKKNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N2/c1-27-17-23-34-35(25-27)41(31-22-24-38-39(26-31)43(3)37-16-10-9-15-36(37)42(38)2)33-14-8-7-13-32(33)40(34)30-20-18-29(19-21-30)28-11-5-4-6-12-28/h4-26H,1-3H3.
What are the key properties of 5,10-dimethyl-2-[2-methyl-10-(4-phenylphenyl)anthracen-9-yl]phenazine?
5,10-dimethyl-2-[2-methyl-10-(4-phenylphenyl)anthracen-9-yl]phenazine has a molecular weight of 552.72 g/mol, XLogP of 11.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dimethyl-2-[2-methyl-10-(4-phenylphenyl)anthracen-9-yl]phenazine is sourced from PubChem (CID 59195172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).