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

C52H35NO — CID 172502268

IUPACN-naphthalen-1-yl-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccccc3-c3ccccc3N(c3ccc4oc5ccccc5c4c3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C52H35NO/c1-2-15-36(16-3-1)37-29-31-39(32-30-37)41-19-6-7-21-43(41)44-22-8-9-23-45(44)46-24-10-12-26-50(46)53(49-27-14-18-38-17-4-5-20-42(38)49)40-33-34-52-48(35-40)47-25-11-13-28-51(47)54-52/h1-35H
InChIKeyVZHYIXCOWLFBPA-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

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

N-naphthalen-1-yl-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine (PubChem CID 172502268) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
PubChem CID172502268
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC NameN-naphthalen-1-yl-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccccc3-c3ccccc3N(c3ccc4oc5ccccc5c4c3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C52H35NO/c1-2-15-36(16-3-1)37-29-31-39(32-30-37)41-19-6-7-21-43(41)44-22-8-9-23-45(44)46-24-10-12-26-50(46)53(49-27-14-18-38-17-4-5-20-42(38)49)40-33-34-52-48(35-40)47-25-11-13-28-51(47)54-52/h1-35H
InChIKeyVZHYIXCOWLFBPA-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-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503063
N-naphthalen-1-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 168789935
N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 170294786
N-[4-(4-phenylphenyl)phenyl]-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172502864
N-dibenzofuran-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779228
N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 165048813
N-(4-dibenzofuran-2-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170294764
N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 167087101
N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157368464
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 174285036
N-(3-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 168790250
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]phenyl]-N-phenyldibenzofuran-2-amine;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 165024004

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine?
The IUPAC name of N-naphthalen-1-yl-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine (CID 172502268) is N-naphthalen-1-yl-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine is c1ccc(-c2ccc(-c3ccccc3-c3ccccc3-c3ccccc3N(c3ccc4oc5ccccc5c4c3)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine?
The InChIKey is VZHYIXCOWLFBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-2-15-36(16-3-1)37-29-31-39(32-30-37)41-19-6-7-21-43(41)44-22-8-9-23-45(44)46-24-10-12-26-50(46)53(49-27-14-18-38-17-4-5-20-42(38)49)40-33-34-52-48(35-40)47-25-11-13-28-51(47)54-52/h1-35H.
What are the key properties of N-naphthalen-1-yl-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine?
N-naphthalen-1-yl-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-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-naphthalen-1-yl-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 172502268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).