9,14-diphenylphenanthro[9,10-b]quinoxaline

C32H22N2 — CID 139185946

IUPAC9,14-diphenylphenanthro[9,10-b]quinoxaline
SMILESc1ccc(N2c3ccccc3N(c3ccccc3)c3c2c2ccccc2c2ccccc32)cc1
InChIInChI=1S/C32H22N2/c1-3-13-23(14-4-1)33-29-21-11-12-22-30(29)34(24-15-5-2-6-16-24)32-28-20-10-8-18-26(28)25-17-7-9-19-27(25)31(32)33/h1-22H
InChIKeyFELGLZULBNABTQ-UHFFFAOYSA-N
MW434.54 g/mol
LogP9.25
Rot. Bonds2

About 9,14-diphenylphenanthro[9,10-b]quinoxaline

9,14-diphenylphenanthro[9,10-b]quinoxaline (PubChem CID 139185946) has the molecular formula C32H22N2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 9,14-diphenylphenanthro[9,10-b]quinoxaline.

Molecular Properties

Compound Name9,14-diphenylphenanthro[9,10-b]quinoxaline
PubChem CID139185946
Molecular FormulaC32H22N2
Molecular Weight434.54 g/mol
Exact Mass434.18
IUPAC Name9,14-diphenylphenanthro[9,10-b]quinoxaline
SMILESc1ccc(N2c3ccccc3N(c3ccccc3)c3c2c2ccccc2c2ccccc32)cc1
InChIInChI=1S/C32H22N2/c1-3-13-23(14-4-1)33-29-21-11-12-22-30(29)34(24-15-5-2-6-16-24)32-28-20-10-8-18-26(28)25-17-7-9-19-27(25)31(32)33/h1-22H
InChIKeyFELGLZULBNABTQ-UHFFFAOYSA-N
XLogP9.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,14-diphenylphenanthro[9,10-b]quinoxaline?
The IUPAC name of 9,14-diphenylphenanthro[9,10-b]quinoxaline (CID 139185946) is 9,14-diphenylphenanthro[9,10-b]quinoxaline.
What is the SMILES notation for 9,14-diphenylphenanthro[9,10-b]quinoxaline?
The canonical SMILES for 9,14-diphenylphenanthro[9,10-b]quinoxaline is c1ccc(N2c3ccccc3N(c3ccccc3)c3c2c2ccccc2c2ccccc32)cc1.
What is the InChIKey of 9,14-diphenylphenanthro[9,10-b]quinoxaline?
The InChIKey is FELGLZULBNABTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N2/c1-3-13-23(14-4-1)33-29-21-11-12-22-30(29)34(24-15-5-2-6-16-24)32-28-20-10-8-18-26(28)25-17-7-9-19-27(25)31(32)33/h1-22H.
What are the key properties of 9,14-diphenylphenanthro[9,10-b]quinoxaline?
9,14-diphenylphenanthro[9,10-b]quinoxaline has a molecular weight of 434.54 g/mol, XLogP of 9.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,14-diphenylphenanthro[9,10-b]quinoxaline is sourced from PubChem (CID 139185946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).