5-(3-bromophenyl)-10-naphthalen-1-ylphenazine

C28H19BrN2 — CID 141487978

IUPAC5-(3-bromophenyl)-10-naphthalen-1-ylphenazine
SMILESBrc1cccc(N2c3ccccc3N(c3cccc4ccccc34)c3ccccc32)c1
InChIInChI=1S/C28H19BrN2/c29-21-11-8-12-22(19-21)30-25-14-3-5-16-27(25)31(28-17-6-4-15-26(28)30)24-18-7-10-20-9-1-2-13-23(20)24/h1-19H
InChIKeyHMGHDNMGLHZEOS-UHFFFAOYSA-N
MW463.38 g/mol
LogP8.86
Rot. Bonds2

About 5-(3-bromophenyl)-10-naphthalen-1-ylphenazine

5-(3-bromophenyl)-10-naphthalen-1-ylphenazine (PubChem CID 141487978) has the molecular formula C28H19BrN2 and a molecular weight of 463.38 g/mol. Its IUPAC name is 5-(3-bromophenyl)-10-naphthalen-1-ylphenazine.

Molecular Properties

Compound Name5-(3-bromophenyl)-10-naphthalen-1-ylphenazine
PubChem CID141487978
Molecular FormulaC28H19BrN2
Molecular Weight463.38 g/mol
Exact Mass462.07
IUPAC Name5-(3-bromophenyl)-10-naphthalen-1-ylphenazine
SMILESBrc1cccc(N2c3ccccc3N(c3cccc4ccccc34)c3ccccc32)c1
InChIInChI=1S/C28H19BrN2/c29-21-11-8-12-22(19-21)30-25-14-3-5-16-27(25)31(28-17-6-4-15-26(28)30)24-18-7-10-20-9-1-2-13-23(20)24/h1-19H
InChIKeyHMGHDNMGLHZEOS-UHFFFAOYSA-N
XLogP8.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.38
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-10-naphthalen-1-ylphenazine?
The IUPAC name of 5-(3-bromophenyl)-10-naphthalen-1-ylphenazine (CID 141487978) is 5-(3-bromophenyl)-10-naphthalen-1-ylphenazine.
What is the SMILES notation for 5-(3-bromophenyl)-10-naphthalen-1-ylphenazine?
The canonical SMILES for 5-(3-bromophenyl)-10-naphthalen-1-ylphenazine is Brc1cccc(N2c3ccccc3N(c3cccc4ccccc34)c3ccccc32)c1.
What is the InChIKey of 5-(3-bromophenyl)-10-naphthalen-1-ylphenazine?
The InChIKey is HMGHDNMGLHZEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19BrN2/c29-21-11-8-12-22(19-21)30-25-14-3-5-16-27(25)31(28-17-6-4-15-26(28)30)24-18-7-10-20-9-1-2-13-23(20)24/h1-19H.
What are the key properties of 5-(3-bromophenyl)-10-naphthalen-1-ylphenazine?
5-(3-bromophenyl)-10-naphthalen-1-ylphenazine has a molecular weight of 463.38 g/mol, XLogP of 8.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-10-naphthalen-1-ylphenazine is sourced from PubChem (CID 141487978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).