2-tert-butyl-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline

C46H37NO — CID 176781189

IUPAC2-tert-butyl-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCC(C)(C)c1cc(-c2ccccc2)ccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C46H37NO/c1-46(2,3)42-30-36(33-14-8-5-9-15-33)23-29-43(42)47(38-24-18-34(19-25-38)32-12-6-4-7-13-32)39-26-20-35(21-27-39)37-22-28-41-40-16-10-11-17-44(40)48-45(41)31-37/h4-31H,1-3H3
InChIKeyYYJWLPMLHLNUOU-UHFFFAOYSA-N
MW619.81 g/mol
LogP13.35
Rot. Bonds6

About 2-tert-butyl-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline

2-tert-butyl-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 176781189) has the molecular formula C46H37NO and a molecular weight of 619.81 g/mol. Its IUPAC name is 2-tert-butyl-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-tert-butyl-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID176781189
Molecular FormulaC46H37NO
Molecular Weight619.81 g/mol
Exact Mass619.29
IUPAC Name2-tert-butyl-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCC(C)(C)c1cc(-c2ccccc2)ccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C46H37NO/c1-46(2,3)42-30-36(33-14-8-5-9-15-33)23-29-43(42)47(38-24-18-34(19-25-38)32-12-6-4-7-13-32)39-26-20-35(21-27-39)37-22-28-41-40-16-10-11-17-44(40)48-45(41)31-37/h4-31H,1-3H3
InChIKeyYYJWLPMLHLNUOU-UHFFFAOYSA-N
XLogP13.35
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.81
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-tert-butyl-4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781185
N-(2-tert-butyl-4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781201
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118186800
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N,N-bis(4-dibenzofuran-3-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171434862
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine
CID 88567948
N-(4-phenylphenyl)-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 155122912
N-[4-(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]-N,4-diphenylaniline
CID 138651647
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-tert-butyl-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline (CID 176781189) is 2-tert-butyl-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-tert-butyl-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-tert-butyl-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline is CC(C)(C)c1cc(-c2ccccc2)ccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of 2-tert-butyl-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is YYJWLPMLHLNUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37NO/c1-46(2,3)42-30-36(33-14-8-5-9-15-33)23-29-43(42)47(38-24-18-34(19-25-38)32-12-6-4-7-13-32)39-26-20-35(21-27-39)37-22-28-41-40-16-10-11-17-44(40)48-45(41)31-37/h4-31H,1-3H3.
What are the key properties of 2-tert-butyl-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline?
2-tert-butyl-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 619.81 g/mol, XLogP of 13.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 176781189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).