N-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-1-amine

C52H35NO — CID 172503017

IUPACN-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccccc3-c3ccccc3N(c3ccc4ccccc4c3)c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C52H35NO/c1-3-16-36(17-4-1)40-31-33-42(38-19-5-2-6-20-38)47(35-40)44-23-10-9-22-43(44)45-24-11-13-26-48(45)53(41-32-30-37-18-7-8-21-39(37)34-41)49-27-15-29-51-52(49)46-25-12-14-28-50(46)54-51/h1-35H
InChIKeyOKASHFNRRGOEAX-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About N-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-1-amine

N-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-1-amine (PubChem CID 172503017) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is N-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-1-amine.

Molecular Properties

Compound NameN-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-1-amine
PubChem CID172503017
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC NameN-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccccc3-c3ccccc3N(c3ccc4ccccc4c3)c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C52H35NO/c1-3-16-36(17-4-1)40-31-33-42(38-19-5-2-6-20-38)47(35-40)44-23-10-9-22-43(44)45-24-11-13-26-48(45)53(41-32-30-37-18-7-8-21-39(37)34-41)49-27-15-29-51-52(49)46-25-12-14-28-50(46)54-51/h1-35H
InChIKeyOKASHFNRRGOEAX-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-naphthalen-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172501948
N-naphthalen-2-yl-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502504
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502233
N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810491
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172502312
N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605702
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406
N-(4-naphthalen-2-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168789792
2-dibenzofuran-1-yl-N-[2-(2-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167325982
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzofuran-1-amine
CID 174256291
N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605463
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 167324675

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-1-amine?
The IUPAC name of N-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-1-amine (CID 172503017) is N-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-1-amine.
What is the SMILES notation for N-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-1-amine?
The canonical SMILES for N-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccccc3)c(-c3ccccc3-c3ccccc3N(c3ccc4ccccc4c3)c3cccc4oc5ccccc5c34)c2)cc1.
What is the InChIKey of N-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-1-amine?
The InChIKey is OKASHFNRRGOEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-3-16-36(17-4-1)40-31-33-42(38-19-5-2-6-20-38)47(35-40)44-23-10-9-22-43(44)45-24-11-13-26-48(45)53(41-32-30-37-18-7-8-21-39(37)34-41)49-27-15-29-51-52(49)46-25-12-14-28-50(46)54-51/h1-35H.
What are the key properties of N-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-1-amine?
N-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-1-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-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-1-amine is sourced from PubChem (CID 172503017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).