3-(3-tert-butyl-1-benzofuran-2-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

C56H43NO — CID 170401079

IUPAC3-(3-tert-butyl-1-benzofuran-2-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESCC(C)(C)c1c(-c2cccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c2)oc2ccccc12
InChIInChI=1S/C56H43NO/c1-56(2,3)54-52-18-9-10-19-53(52)58-55(54)46-15-11-16-49(37-46)57(47-31-26-41(27-32-47)40-22-20-39(21-23-40)38-12-5-4-6-13-38)48-33-28-42(29-34-48)44-30-35-51-45(36-44)25-24-43-14-7-8-17-50(43)51/h4-37H,1-3H3
InChIKeyLQIYOOCRAPXANO-UHFFFAOYSA-N
MW745.97 g/mol
LogP16.17
Rot. Bonds7

About 3-(3-tert-butyl-1-benzofuran-2-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

3-(3-tert-butyl-1-benzofuran-2-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 170401079) has the molecular formula C56H43NO and a molecular weight of 745.97 g/mol. Its IUPAC name is 3-(3-tert-butyl-1-benzofuran-2-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-(3-tert-butyl-1-benzofuran-2-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID170401079
Molecular FormulaC56H43NO
Molecular Weight745.97 g/mol
Exact Mass745.33
IUPAC Name3-(3-tert-butyl-1-benzofuran-2-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESCC(C)(C)c1c(-c2cccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c2)oc2ccccc12
InChIInChI=1S/C56H43NO/c1-56(2,3)54-52-18-9-10-19-53(52)58-55(54)46-15-11-16-49(37-46)57(47-31-26-41(27-32-47)40-22-20-39(21-23-40)38-12-5-4-6-13-38)48-33-28-42(29-34-48)44-30-35-51-45(36-44)25-24-43-14-7-8-17-50(43)51/h4-37H,1-3H3
InChIKeyLQIYOOCRAPXANO-UHFFFAOYSA-N
XLogP16.17
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.97
LogP ≤ 516.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-tert-butyl-1-benzofuran-2-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]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

3-(3-methyl-1-benzofuran-2-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170400365
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 170399413
N-(4-phenanthren-2-ylphenyl)-3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline
CID 170526121
N-[3-(3-tert-butyl-1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 170400913
N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 170400243
N-(4-phenanthren-2-ylphenyl)-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 170401634
N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 164956359
3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170526059
N-dibenzofuran-3-yl-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743078
4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170401432
N,N-bis(3-phenanthren-2-ylphenyl)-3-phenylaniline
CID 135299449
N-(4-naphthalen-1-ylphenyl)-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743305

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1-benzofuran-2-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-(3-tert-butyl-1-benzofuran-2-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 170401079) is 3-(3-tert-butyl-1-benzofuran-2-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-(3-tert-butyl-1-benzofuran-2-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-(3-tert-butyl-1-benzofuran-2-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is CC(C)(C)c1c(-c2cccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c2)oc2ccccc12.
What is the InChIKey of 3-(3-tert-butyl-1-benzofuran-2-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is LQIYOOCRAPXANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43NO/c1-56(2,3)54-52-18-9-10-19-53(52)58-55(54)46-15-11-16-49(37-46)57(47-31-26-41(27-32-47)40-22-20-39(21-23-40)38-12-5-4-6-13-38)48-33-28-42(29-34-48)44-30-35-51-45(36-44)25-24-43-14-7-8-17-50(43)51/h4-37H,1-3H3.
What are the key properties of 3-(3-tert-butyl-1-benzofuran-2-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
3-(3-tert-butyl-1-benzofuran-2-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 745.97 g/mol, XLogP of 16.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1-benzofuran-2-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 170401079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).