N-(3,4-diphenylphenyl)-N-[2-(7-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine

C52H35NO — CID 177080726

IUPACN-(3,4-diphenylphenyl)-N-[2-(7-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc3ccc(-c4ccccc4N(c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c4cccc5c4oc4ccccc45)cc3c2)cc1
InChIInChI=1S/C52H35NO/c1-4-15-36(16-5-1)40-29-27-37-28-30-41(34-42(37)33-40)45-21-10-12-24-49(45)53(50-25-14-23-47-46-22-11-13-26-51(46)54-52(47)50)43-31-32-44(38-17-6-2-7-18-38)48(35-43)39-19-8-3-9-20-39/h1-35H
InChIKeyINOCRUHAFSRLAQ-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About N-(3,4-diphenylphenyl)-N-[2-(7-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine

N-(3,4-diphenylphenyl)-N-[2-(7-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine (PubChem CID 177080726) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-[2-(7-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-[2-(7-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
PubChem CID177080726
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC NameN-(3,4-diphenylphenyl)-N-[2-(7-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc3ccc(-c4ccccc4N(c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c4cccc5c4oc4ccccc45)cc3c2)cc1
InChIInChI=1S/C52H35NO/c1-4-15-36(16-5-1)40-29-27-37-28-30-41(34-42(37)33-40)45-21-10-12-24-49(45)53(50-25-14-23-47-46-22-11-13-26-51(46)54-52(47)50)43-31-32-44(38-17-6-2-7-18-38)48(35-43)39-19-8-3-9-20-39/h1-35H
InChIKeyINOCRUHAFSRLAQ-UHFFFAOYSA-N
XLogP14.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566139
N-naphthalen-2-yl-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502504
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-phenyl-3-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 177080790
N-dibenzofuran-4-yl-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 167397315
N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenyldibenzofuran-4-amine
CID 177080749
N-(3,4-diphenylphenyl)-N-[3-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 177080706
N-[2-[3-(N-dibenzofuran-4-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 167086724
N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501519
N-(4-dibenzofuran-4-yl-3-phenylphenyl)-N-naphthalen-2-yldibenzofuran-4-amine;N-(4-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-yl-3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine;N-(4-dibenzofuran-4-yl-3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 158603795
N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 172503187
N-(3-dibenzofuran-4-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline
CID 172501796
N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzofuran-4-amine
CID 166055357

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-[2-(7-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-[2-(7-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine (CID 177080726) is N-(3,4-diphenylphenyl)-N-[2-(7-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-[2-(7-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-[2-(7-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine is c1ccc(-c2ccc3ccc(-c4ccccc4N(c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c4cccc5c4oc4ccccc45)cc3c2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-[2-(7-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine?
The InChIKey is INOCRUHAFSRLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-4-15-36(16-5-1)40-29-27-37-28-30-41(34-42(37)33-40)45-21-10-12-24-49(45)53(50-25-14-23-47-46-22-11-13-26-51(46)54-52(47)50)43-31-32-44(38-17-6-2-7-18-38)48(35-43)39-19-8-3-9-20-39/h1-35H.
What are the key properties of N-(3,4-diphenylphenyl)-N-[2-(7-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine?
N-(3,4-diphenylphenyl)-N-[2-(7-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine has a molecular weight of 689.86 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-N-[2-(7-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 177080726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).