N-(3,4-diphenylphenyl)-N-[3-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine

C52H35NO — CID 177080706

IUPACN-(3,4-diphenylphenyl)-N-[3-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5cccc(-c6ccccc6)c5c4)c3)c3cccc4c3oc3ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C52H35NO/c1-4-15-36(16-5-1)44-25-13-21-39-29-30-41(34-48(39)44)40-22-12-23-42(33-40)53(50-27-14-26-47-46-24-10-11-28-51(46)54-52(47)50)43-31-32-45(37-17-6-2-7-18-37)49(35-43)38-19-8-3-9-20-38/h1-35H
InChIKeyKMOASLYUPOSZLZ-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About N-(3,4-diphenylphenyl)-N-[3-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine

N-(3,4-diphenylphenyl)-N-[3-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine (PubChem CID 177080706) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-[3-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-[3-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
PubChem CID177080706
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC NameN-(3,4-diphenylphenyl)-N-[3-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5cccc(-c6ccccc6)c5c4)c3)c3cccc4c3oc3ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C52H35NO/c1-4-15-36(16-5-1)44-25-13-21-39-29-30-41(34-48(39)44)40-22-12-23-42(33-40)53(50-27-14-26-47-46-24-10-11-28-51(46)54-52(47)50)43-31-32-45(37-17-6-2-7-18-37)49(35-43)38-19-8-3-9-20-38/h1-35H
InChIKeyKMOASLYUPOSZLZ-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-(4-methylphenyl)-3-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 177080725
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 170535179
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-phenyl-3-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 177080790
N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 172503073
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168803987
N-[4-(3,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
CID 174272400
3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 164831619
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172501495
N-(3,4-diphenylphenyl)-N-[2-(7-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 177080726
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-phenyl-N-[4-[8-[4-(N-(3-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 166917437
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396678

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-[3-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-[3-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine (CID 177080706) is N-(3,4-diphenylphenyl)-N-[3-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-[3-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-[3-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccc5cccc(-c6ccccc6)c5c4)c3)c3cccc4c3oc3ccccc34)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-[3-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine?
The InChIKey is KMOASLYUPOSZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-4-15-36(16-5-1)44-25-13-21-39-29-30-41(34-48(39)44)40-22-12-23-42(33-40)53(50-27-14-26-47-46-24-10-11-28-51(46)54-52(47)50)43-31-32-45(37-17-6-2-7-18-37)49(35-43)38-19-8-3-9-20-38/h1-35H.
What are the key properties of N-(3,4-diphenylphenyl)-N-[3-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine?
N-(3,4-diphenylphenyl)-N-[3-(8-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-[3-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 177080706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).