1,1'-biphenyl;1,2-dimethylacridine

C27H23N — CID 175084711

IUPAC1,1'-biphenyl;1,2-dimethylacridine
SMILESCc1ccc2nc3ccccc3cc2c1C.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H13N.C12H10/c1-10-7-8-15-13(11(10)2)9-12-5-3-4-6-14(12)16-15;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3-9H,1-2H3;1-10H
InChIKeySXLDALFNHCVEBX-UHFFFAOYSA-N
MW361.49 g/mol
LogP7.36
Rot. Bonds1

About 1,1'-biphenyl;1,2-dimethylacridine

1,1'-biphenyl;1,2-dimethylacridine (PubChem CID 175084711) has the molecular formula C27H23N and a molecular weight of 361.49 g/mol. Its IUPAC name is 1,1'-biphenyl;1,2-dimethylacridine.

Molecular Properties

Compound Name1,1'-biphenyl;1,2-dimethylacridine
PubChem CID175084711
Molecular FormulaC27H23N
Molecular Weight361.49 g/mol
Exact Mass361.18
IUPAC Name1,1'-biphenyl;1,2-dimethylacridine
SMILESCc1ccc2nc3ccccc3cc2c1C.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H13N.C12H10/c1-10-7-8-15-13(11(10)2)9-12-5-3-4-6-14(12)16-15;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3-9H,1-2H3;1-10H
InChIKeySXLDALFNHCVEBX-UHFFFAOYSA-N
XLogP7.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,1'-biphenyl;1,2-dimethylacridine?
The IUPAC name of 1,1'-biphenyl;1,2-dimethylacridine (CID 175084711) is 1,1'-biphenyl;1,2-dimethylacridine.
What is the SMILES notation for 1,1'-biphenyl;1,2-dimethylacridine?
The canonical SMILES for 1,1'-biphenyl;1,2-dimethylacridine is Cc1ccc2nc3ccccc3cc2c1C.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;1,2-dimethylacridine?
The InChIKey is SXLDALFNHCVEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N.C12H10/c1-10-7-8-15-13(11(10)2)9-12-5-3-4-6-14(12)16-15;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3-9H,1-2H3;1-10H.
What are the key properties of 1,1'-biphenyl;1,2-dimethylacridine?
1,1'-biphenyl;1,2-dimethylacridine has a molecular weight of 361.49 g/mol, XLogP of 7.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;1,2-dimethylacridine is sourced from PubChem (CID 175084711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).