4-(4-butylphenyl)-N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline

C56H43NO2 — CID 170128535

IUPAC4-(4-butylphenyl)-N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline
SMILESCCCCc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)cc3)C3C=CC(c4cccc5oc6ccccc6c45)=CC3)cc2)cc1
InChIInChI=1S/C56H43NO2/c1-2-3-9-37-16-18-38(19-17-37)39-22-29-44(30-23-39)57(46-33-26-41(27-34-46)47-12-8-15-53-55(47)48-10-4-6-13-51(48)58-53)45-31-24-40(25-32-45)43-21-20-42-28-35-54-56(50(42)36-43)49-11-5-7-14-52(49)59-54/h4-8,10-33,35-36,46H,2-3,9,34H2,1H3
InChIKeyBZGMWLSLRQRMSG-UHFFFAOYSA-N
MW761.97 g/mol
LogP15.87
Rot. Bonds9

About 4-(4-butylphenyl)-N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline

4-(4-butylphenyl)-N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline (PubChem CID 170128535) has the molecular formula C56H43NO2 and a molecular weight of 761.97 g/mol. Its IUPAC name is 4-(4-butylphenyl)-N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline.

Molecular Properties

Compound Name4-(4-butylphenyl)-N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline
PubChem CID170128535
Molecular FormulaC56H43NO2
Molecular Weight761.97 g/mol
Exact Mass761.33
IUPAC Name4-(4-butylphenyl)-N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline
SMILESCCCCc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)cc3)C3C=CC(c4cccc5oc6ccccc6c45)=CC3)cc2)cc1
InChIInChI=1S/C56H43NO2/c1-2-3-9-37-16-18-38(19-17-37)39-22-29-44(30-23-39)57(46-33-26-41(27-34-46)47-12-8-15-53-55(47)48-10-4-6-13-51(48)58-53)45-31-24-40(25-32-45)43-21-20-42-28-35-54-56(50(42)36-43)49-11-5-7-14-52(49)59-54/h4-8,10-33,35-36,46H,2-3,9,34H2,1H3
InChIKeyBZGMWLSLRQRMSG-UHFFFAOYSA-N
XLogP15.87
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.97
LogP ≤ 515.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-butylphenyl)-N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)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-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine
CID 170250079
1-[10-[7-[3-(4-butylphenyl)phenyl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 166990982
3-dibenzothiophen-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)aniline
CID 170135768
N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 134171841
N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814664
4-[2-(4-tert-butylphenyl)ethyl]-6-dibenzofuran-2-yl-N-[4-(6-methyl-6,7-dihydrodibenzofuran-2-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-8-(2-phenylethyl)naphthalen-2-amine
CID 143859107
11-dibenzofuran-3-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]carbazol-2-amine
CID 146186880
2-(4-methylcyclohexa-1,5-dien-1-yl)-4-(4-phenylnaphthalen-1-yl)-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 167008360
N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(2,6-dimethyl-4-phenylphenyl)triphenylen-2-amine
CID 144583066
N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-2-ylphenyl)-N-(4-phenanthren-3-ylphenyl)aniline
CID 176810337
N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-3-ylphenyl)aniline
CID 176810722
2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030274

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenyl)-N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline?
The IUPAC name of 4-(4-butylphenyl)-N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline (CID 170128535) is 4-(4-butylphenyl)-N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline.
What is the SMILES notation for 4-(4-butylphenyl)-N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline?
The canonical SMILES for 4-(4-butylphenyl)-N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline is CCCCc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)cc3)C3C=CC(c4cccc5oc6ccccc6c45)=CC3)cc2)cc1.
What is the InChIKey of 4-(4-butylphenyl)-N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline?
The InChIKey is BZGMWLSLRQRMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43NO2/c1-2-3-9-37-16-18-38(19-17-37)39-22-29-44(30-23-39)57(46-33-26-41(27-34-46)47-12-8-15-53-55(47)48-10-4-6-13-51(48)58-53)45-31-24-40(25-32-45)43-21-20-42-28-35-54-56(50(42)36-43)49-11-5-7-14-52(49)59-54/h4-8,10-33,35-36,46H,2-3,9,34H2,1H3.
What are the key properties of 4-(4-butylphenyl)-N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline?
4-(4-butylphenyl)-N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline has a molecular weight of 761.97 g/mol, XLogP of 15.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenyl)-N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline is sourced from PubChem (CID 170128535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).