N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine

C52H33NO2 — CID 170301157

IUPACN-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3oc3cc(-c5ccccc5)c5ccccc5c34)cc2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C52H33NO2/c1-3-14-34(15-4-1)39-18-9-11-24-47(39)53(38-30-31-49-46(32-38)42-20-10-12-25-48(42)54-49)37-28-26-36(27-29-37)40-22-13-23-44-51-43-21-8-7-19-41(43)45(33-50(51)55-52(40)44)35-16-5-2-6-17-35/h1-33H
InChIKeyMMWYPJLBRGELFO-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

About N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine

N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine (PubChem CID 170301157) has the molecular formula C52H33NO2 and a molecular weight of 703.84 g/mol. Its IUPAC name is N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
PubChem CID170301157
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC NameN-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3oc3cc(-c5ccccc5)c5ccccc5c34)cc2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C52H33NO2/c1-3-14-34(15-4-1)39-18-9-11-24-47(39)53(38-30-31-49-46(32-38)42-20-10-12-25-48(42)54-49)37-28-26-36(27-29-37)40-22-13-23-44-51-43-21-8-7-19-41(43)45(33-50(51)55-52(40)44)35-16-5-2-6-17-35/h1-33H
InChIKeyMMWYPJLBRGELFO-UHFFFAOYSA-N
XLogP15.11
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.84
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 122675345
N-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397725
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172501827
N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301401
N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301400
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-3-amine
CID 170031062
N,N-bis(4-dibenzofuran-2-ylphenyl)dibenzofuran-2-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-2-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-4-amine
CID 159092956
N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 140919310
3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 118605105
N-(4-bromophenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-phenylaniline
CID 135165693
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 168804493
N,8-diphenyl-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 177130769

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine (CID 170301157) is N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3oc3cc(-c5ccccc5)c5ccccc5c34)cc2)c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is MMWYPJLBRGELFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-3-14-34(15-4-1)39-18-9-11-24-47(39)53(38-30-31-49-46(32-38)42-20-10-12-25-48(42)54-49)37-28-26-36(27-29-37)40-22-13-23-44-51-43-21-8-7-19-41(43)45(33-50(51)55-52(40)44)35-16-5-2-6-17-35/h1-33H.
What are the key properties of N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine?
N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 703.84 g/mol, XLogP of 15.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 170301157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).