1,1'-biphenyl;dibenzofuran-4-amine

C24H19NO — CID 144554378

IUPAC1,1'-biphenyl;dibenzofuran-4-amine
SMILESNc1cccc2c1oc1ccccc12.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H9NO.C12H10/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-7H,13H2;1-10H
InChIKeyVFSSPOSSLTUCRE-UHFFFAOYSA-N
MW337.42 g/mol
LogP6.52
Rot. Bonds1

About 1,1'-biphenyl;dibenzofuran-4-amine

1,1'-biphenyl;dibenzofuran-4-amine (PubChem CID 144554378) has the molecular formula C24H19NO and a molecular weight of 337.42 g/mol. Its IUPAC name is 1,1'-biphenyl;dibenzofuran-4-amine.

Molecular Properties

Compound Name1,1'-biphenyl;dibenzofuran-4-amine
PubChem CID144554378
Molecular FormulaC24H19NO
Molecular Weight337.42 g/mol
Exact Mass337.15
IUPAC Name1,1'-biphenyl;dibenzofuran-4-amine
SMILESNc1cccc2c1oc1ccccc12.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H9NO.C12H10/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-7H,13H2;1-10H
InChIKeyVFSSPOSSLTUCRE-UHFFFAOYSA-N
XLogP6.52
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromodibenzofuran;4-phenylaniline
CID 122673561
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
2-dibenzofuran-4-yl-3-phenyl-4-(4-phenylphenyl)aniline
CID 175746284
1-(4-phenylphenyl)dibenzofuran-4-amine
CID 121250061
4-(4-dibenzofuran-4-ylphenyl)aniline
CID 58510844
4-phenyldibenzofuran-1-amine
CID 175743038
4-bromodibenzofuran-3-amine
CID 142749742
1-(2-phenylphenyl)dibenzofuran-4-amine
CID 140757052
8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 162495161
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)aniline
CID 177127768
3-dibenzofuran-4-ylnaphthalen-1-amine
CID 118534182

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;dibenzofuran-4-amine?
The IUPAC name of 1,1'-biphenyl;dibenzofuran-4-amine (CID 144554378) is 1,1'-biphenyl;dibenzofuran-4-amine.
What is the SMILES notation for 1,1'-biphenyl;dibenzofuran-4-amine?
The canonical SMILES for 1,1'-biphenyl;dibenzofuran-4-amine is Nc1cccc2c1oc1ccccc12.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;dibenzofuran-4-amine?
The InChIKey is VFSSPOSSLTUCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO.C12H10/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-7H,13H2;1-10H.
What are the key properties of 1,1'-biphenyl;dibenzofuran-4-amine?
1,1'-biphenyl;dibenzofuran-4-amine has a molecular weight of 337.42 g/mol, XLogP of 6.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;dibenzofuran-4-amine is sourced from PubChem (CID 144554378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).