2-dibenzofuran-4-yl-3-phenyl-4-(4-phenylphenyl)aniline

C36H25NO — CID 175746284

IUPAC2-dibenzofuran-4-yl-3-phenyl-4-(4-phenylphenyl)aniline
SMILESNc1ccc(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)c1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C36H25NO/c37-32-23-22-28(26-20-18-25(19-21-26)24-10-3-1-4-11-24)34(27-12-5-2-6-13-27)35(32)31-16-9-15-30-29-14-7-8-17-33(29)38-36(30)31/h1-23H,37H2
InChIKeyNFRUSJDMZAXCEQ-UHFFFAOYSA-N
MW487.60 g/mol
LogP9.84
Rot. Bonds4

About 2-dibenzofuran-4-yl-3-phenyl-4-(4-phenylphenyl)aniline

2-dibenzofuran-4-yl-3-phenyl-4-(4-phenylphenyl)aniline (PubChem CID 175746284) has the molecular formula C36H25NO and a molecular weight of 487.60 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-3-phenyl-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-3-phenyl-4-(4-phenylphenyl)aniline
PubChem CID175746284
Molecular FormulaC36H25NO
Molecular Weight487.60 g/mol
Exact Mass487.19
IUPAC Name2-dibenzofuran-4-yl-3-phenyl-4-(4-phenylphenyl)aniline
SMILESNc1ccc(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)c1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C36H25NO/c37-32-23-22-28(26-20-18-25(19-21-26)24-10-3-1-4-11-24)34(27-12-5-2-6-13-27)35(32)31-16-9-15-30-29-14-7-8-17-33(29)38-36(30)31/h1-23H,37H2
InChIKeyNFRUSJDMZAXCEQ-UHFFFAOYSA-N
XLogP9.84
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 59.84
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

2,4-di(dibenzofuran-4-yl)-6-(2,3,4-triphenylphenyl)-1,3,5-triazine
CID 167349521
4-(4-dibenzofuran-4-ylphenyl)aniline
CID 58510844
4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 176639395
2-dibenzofuran-4-yl-4-phenyl-6-[4-[2-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139442228
1,1'-biphenyl;dibenzofuran-4-amine
CID 144554378
1-(4-phenylphenyl)dibenzofuran-4-amine
CID 121250061
N-[4-(7-dibenzofuran-4-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170536120
4,6-di(dibenzofuran-4-yl)-2-[2-phenyl-6-(4-phenylphenyl)phenyl]pyrimidine
CID 167349519
7-(10-dibenzofuran-4-ylanthracen-9-yl)-16-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 153314459
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline
CID 135277346
4-[4-[6-(4-phenylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 58273601

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-3-phenyl-4-(4-phenylphenyl)aniline?
The IUPAC name of 2-dibenzofuran-4-yl-3-phenyl-4-(4-phenylphenyl)aniline (CID 175746284) is 2-dibenzofuran-4-yl-3-phenyl-4-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-dibenzofuran-4-yl-3-phenyl-4-(4-phenylphenyl)aniline?
The canonical SMILES for 2-dibenzofuran-4-yl-3-phenyl-4-(4-phenylphenyl)aniline is Nc1ccc(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)c1-c1cccc2c1oc1ccccc12.
What is the InChIKey of 2-dibenzofuran-4-yl-3-phenyl-4-(4-phenylphenyl)aniline?
The InChIKey is NFRUSJDMZAXCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25NO/c37-32-23-22-28(26-20-18-25(19-21-26)24-10-3-1-4-11-24)34(27-12-5-2-6-13-27)35(32)31-16-9-15-30-29-14-7-8-17-33(29)38-36(30)31/h1-23H,37H2.
What are the key properties of 2-dibenzofuran-4-yl-3-phenyl-4-(4-phenylphenyl)aniline?
2-dibenzofuran-4-yl-3-phenyl-4-(4-phenylphenyl)aniline has a molecular weight of 487.60 g/mol, XLogP of 9.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-3-phenyl-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 175746284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).