N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine

C52H33NO2 — CID 163945137

IUPACN-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6oc7c8ccccc8ccc7c56)cc4)c4cccc5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C52H33NO2/c1-2-10-34(11-3-1)35-20-22-36(23-21-35)37-24-29-40(30-25-37)53(46-16-9-19-49-51(46)44-14-6-7-17-47(44)54-49)41-31-26-39(27-32-41)42-15-8-18-48-50(42)45-33-28-38-12-4-5-13-43(38)52(45)55-48/h1-33H
InChIKeyRUKMPJYYENKDBI-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

About N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine

N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 163945137) has the molecular formula C52H33NO2 and a molecular weight of 703.84 g/mol. Its IUPAC name is N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID163945137
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC NameN-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6oc7c8ccccc8ccc7c56)cc4)c4cccc5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C52H33NO2/c1-2-10-34(11-3-1)35-20-22-36(23-21-35)37-24-29-40(30-25-37)53(46-16-9-19-49-51(46)44-14-6-7-17-47(44)54-49)41-31-26-39(27-32-41)42-15-8-18-48-50(42)45-33-28-38-12-4-5-13-43(38)52(45)55-48/h1-33H
InChIKeyRUKMPJYYENKDBI-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-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738577
N-(4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739665
N-(4-dibenzofuran-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167329508
N-(4-dibenzofuran-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 166938688
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167331276
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 167330365
N-(4-dibenzofuran-1-ylphenyl)-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737704
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737622
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738835
N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737306
2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167331209
N-(4-dibenzofuran-1-ylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 167330776

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 163945137) is N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6oc7c8ccccc8ccc7c56)cc4)c4cccc5oc6ccccc6c45)cc3)cc2)cc1.
What is the InChIKey of N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is RUKMPJYYENKDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-2-10-34(11-3-1)35-20-22-36(23-21-35)37-24-29-40(30-25-37)53(46-16-9-19-49-51(46)44-14-6-7-17-47(44)54-49)41-31-26-39(27-32-41)42-15-8-18-48-50(42)45-33-28-38-12-4-5-13-43(38)52(45)55-48/h1-33H.
What are the key properties of N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-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-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 163945137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).