4-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-N,3-diphenylaniline

C54H35NO — CID 170126534

IUPAC4-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-N,3-diphenylaniline
SMILESc1ccc(-c2cc(N(c3ccccc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)ccc2-c2ccc3c(ccc4oc5ccccc5c43)c2)cc1
InChIInChI=1S/C54H35NO/c1-3-13-36(14-4-1)51-35-43(29-31-45(51)39-25-30-46-40(33-39)26-32-53-54(46)49-21-11-12-22-52(49)56-53)55(41-16-5-2-6-17-41)42-27-23-37(24-28-42)50-34-38-15-7-8-18-44(38)47-19-9-10-20-48(47)50/h1-35H
InChIKeyZUYFTQDZBBRXML-UHFFFAOYSA-N
MW713.88 g/mol
LogP15.52
Rot. Bonds6

About 4-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-N,3-diphenylaniline

4-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-N,3-diphenylaniline (PubChem CID 170126534) has the molecular formula C54H35NO and a molecular weight of 713.88 g/mol. Its IUPAC name is 4-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-N,3-diphenylaniline.

Molecular Properties

Compound Name4-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-N,3-diphenylaniline
PubChem CID170126534
Molecular FormulaC54H35NO
Molecular Weight713.88 g/mol
Exact Mass713.27
IUPAC Name4-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-N,3-diphenylaniline
SMILESc1ccc(-c2cc(N(c3ccccc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)ccc2-c2ccc3c(ccc4oc5ccccc5c43)c2)cc1
InChIInChI=1S/C54H35NO/c1-3-13-36(14-4-1)51-35-43(29-31-45(51)39-25-30-46-40(33-39)26-32-53-54(46)49-21-11-12-22-52(49)56-53)55(41-16-5-2-6-17-41)42-27-23-37(24-28-42)50-34-38-15-7-8-18-44(38)47-19-9-10-20-48(47)50/h1-35H
InChIKeyZUYFTQDZBBRXML-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-N,3-diphenylaniline 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

4-benzo[c]phenanthren-2-yl-N-(4-phenanthren-9-ylphenyl)-N,3-diphenylaniline
CID 167184316
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 170030346
N-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169007692
N-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine
CID 170126684
N-[4-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 170127431
N-(4-dibenzofuran-1-ylphenyl)-3-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 142614686
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine
CID 170126953
N-(3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 156577441
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030567
4-chrysen-2-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170141753
N-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301497
N-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine
CID 167235145

Frequently Asked Questions

What is the IUPAC name of 4-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-N,3-diphenylaniline?
The IUPAC name of 4-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-N,3-diphenylaniline (CID 170126534) is 4-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-N,3-diphenylaniline.
What is the SMILES notation for 4-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-N,3-diphenylaniline?
The canonical SMILES for 4-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-N,3-diphenylaniline is c1ccc(-c2cc(N(c3ccccc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)ccc2-c2ccc3c(ccc4oc5ccccc5c43)c2)cc1.
What is the InChIKey of 4-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-N,3-diphenylaniline?
The InChIKey is ZUYFTQDZBBRXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO/c1-3-13-36(14-4-1)51-35-43(29-31-45(51)39-25-30-46-40(33-39)26-32-53-54(46)49-21-11-12-22-52(49)56-53)55(41-16-5-2-6-17-41)42-27-23-37(24-28-42)50-34-38-15-7-8-18-44(38)47-19-9-10-20-48(47)50/h1-35H.
What are the key properties of 4-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-N,3-diphenylaniline?
4-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-N,3-diphenylaniline has a molecular weight of 713.88 g/mol, XLogP of 15.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-N,3-diphenylaniline is sourced from PubChem (CID 170126534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).