5,10-bis[[4-(chloromethyl)phenyl]methyl]phenazine

C28H24Cl2N2 — CID 18520859

IUPAC5,10-bis[[4-(chloromethyl)phenyl]methyl]phenazine
SMILESClCc1ccc(CN2c3ccccc3N(Cc3ccc(CCl)cc3)c3ccccc32)cc1
InChIInChI=1S/C28H24Cl2N2/c29-17-21-9-13-23(14-10-21)19-31-25-5-1-2-6-26(25)32(28-8-4-3-7-27(28)31)20-24-15-11-22(18-30)12-16-24/h1-16H,17-20H2
InChIKeyLPJWHHIRHFUKBG-UHFFFAOYSA-N
MW459.42 g/mol
LogP8.15
Rot. Bonds6

About 5,10-bis[[4-(chloromethyl)phenyl]methyl]phenazine

5,10-bis[[4-(chloromethyl)phenyl]methyl]phenazine (PubChem CID 18520859) has the molecular formula C28H24Cl2N2 and a molecular weight of 459.42 g/mol. Its IUPAC name is 5,10-bis[[4-(chloromethyl)phenyl]methyl]phenazine.

Molecular Properties

Compound Name5,10-bis[[4-(chloromethyl)phenyl]methyl]phenazine
PubChem CID18520859
Molecular FormulaC28H24Cl2N2
Molecular Weight459.42 g/mol
Exact Mass458.13
IUPAC Name5,10-bis[[4-(chloromethyl)phenyl]methyl]phenazine
SMILESClCc1ccc(CN2c3ccccc3N(Cc3ccc(CCl)cc3)c3ccccc32)cc1
InChIInChI=1S/C28H24Cl2N2/c29-17-21-9-13-23(14-10-21)19-31-25-5-1-2-6-26(25)32(28-8-4-3-7-27(28)31)20-24-15-11-22(18-30)12-16-24/h1-16H,17-20H2
InChIKeyLPJWHHIRHFUKBG-UHFFFAOYSA-N
XLogP8.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.42
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,10-bis[[4-(chloromethyl)phenyl]methyl]phenazine?
The IUPAC name of 5,10-bis[[4-(chloromethyl)phenyl]methyl]phenazine (CID 18520859) is 5,10-bis[[4-(chloromethyl)phenyl]methyl]phenazine.
What is the SMILES notation for 5,10-bis[[4-(chloromethyl)phenyl]methyl]phenazine?
The canonical SMILES for 5,10-bis[[4-(chloromethyl)phenyl]methyl]phenazine is ClCc1ccc(CN2c3ccccc3N(Cc3ccc(CCl)cc3)c3ccccc32)cc1.
What is the InChIKey of 5,10-bis[[4-(chloromethyl)phenyl]methyl]phenazine?
The InChIKey is LPJWHHIRHFUKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N2/c29-17-21-9-13-23(14-10-21)19-31-25-5-1-2-6-26(25)32(28-8-4-3-7-27(28)31)20-24-15-11-22(18-30)12-16-24/h1-16H,17-20H2.
What are the key properties of 5,10-bis[[4-(chloromethyl)phenyl]methyl]phenazine?
5,10-bis[[4-(chloromethyl)phenyl]methyl]phenazine has a molecular weight of 459.42 g/mol, XLogP of 8.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis[[4-(chloromethyl)phenyl]methyl]phenazine is sourced from PubChem (CID 18520859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).