4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine

C66H46N2O — CID 167087184

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3N(c3ccccc3-c3ccccc3)c3ccccc3-c3ccccc3)c3ccc(-c4ccccc4)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C66H46N2O/c1-5-23-47(24-6-1)48-41-43-52(44-42-48)67(63-46-45-55(51-29-11-4-12-30-51)66-65(63)58-35-17-22-40-64(58)69-66)61-38-20-15-33-56(61)57-34-16-21-39-62(57)68(59-36-18-13-31-53(59)49-25-7-2-8-26-49)60-37-19-14-32-54(60)50-27-9-3-10-28-50/h1-46H
InChIKeyHREHLQSSMPQTPJ-UHFFFAOYSA-N
MW883.11 g/mol
LogP18.86
Rot. Bonds11

About 4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine

4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine (PubChem CID 167087184) has the molecular formula C66H46N2O and a molecular weight of 883.11 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine
PubChem CID167087184
Molecular FormulaC66H46N2O
Molecular Weight883.11 g/mol
Exact Mass882.36
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3N(c3ccccc3-c3ccccc3)c3ccccc3-c3ccccc3)c3ccc(-c4ccccc4)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C66H46N2O/c1-5-23-47(24-6-1)48-41-43-52(44-42-48)67(63-46-45-55(51-29-11-4-12-30-51)66-65(63)58-35-17-22-40-64(58)69-66)61-38-20-15-33-56(61)57-34-16-21-39-62(57)68(59-36-18-13-31-53(59)49-25-7-2-8-26-49)60-37-19-14-32-54(60)50-27-9-3-10-28-50/h1-46H
InChIKeyHREHLQSSMPQTPJ-UHFFFAOYSA-N
XLogP18.86
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.11
LogP ≤ 518.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine with MolForge

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Related Compounds

N-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069373
4-phenyl-N-(2-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069333
N-phenanthren-2-yl-N-(2-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820810
4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069663
4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069341
N-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069853
4-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069697
N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820432
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172500844
4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069277
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-4-yl-4-phenyldibenzofuran-1-amine
CID 176821420
4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 153447933

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine (CID 167087184) is 4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3ccccc3-c3ccccc3N(c3ccccc3-c3ccccc3)c3ccccc3-c3ccccc3)c3ccc(-c4ccccc4)c4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine?
The InChIKey is HREHLQSSMPQTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2O/c1-5-23-47(24-6-1)48-41-43-52(44-42-48)67(63-46-45-55(51-29-11-4-12-30-51)66-65(63)58-35-17-22-40-64(58)69-66)61-38-20-15-33-56(61)57-34-16-21-39-62(57)68(59-36-18-13-31-53(59)49-25-7-2-8-26-49)60-37-19-14-32-54(60)50-27-9-3-10-28-50/h1-46H.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine?
4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine has a molecular weight of 883.11 g/mol, XLogP of 18.86, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 167087184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).