N-dibenzofuran-1-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine

C52H33NO2 — CID 176765019

IUPACN-dibenzofuran-1-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)c(-c4ccccc4)cc4oc6ccccc6c45)c4cccc5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C52H33NO2/c1-3-12-34(13-4-1)35-22-24-36(25-23-35)37-26-28-39(29-27-37)53(46-18-11-21-49-52(46)43-17-8-10-20-48(43)54-49)40-30-31-41-45(32-40)44(38-14-5-2-6-15-38)33-50-51(41)42-16-7-9-19-47(42)55-50/h1-33H
InChIKeyNJXVEPSERUEQLR-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

About N-dibenzofuran-1-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine

N-dibenzofuran-1-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine (PubChem CID 176765019) has the molecular formula C52H33NO2 and a molecular weight of 703.84 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine
PubChem CID176765019
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC NameN-dibenzofuran-1-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)c(-c4ccccc4)cc4oc6ccccc6c45)c4cccc5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C52H33NO2/c1-3-12-34(13-4-1)35-22-24-36(25-23-35)37-26-28-39(29-27-37)53(46-18-11-21-49-52(46)43-17-8-10-20-48(43)54-49)40-30-31-41-45(32-40)44(38-14-5-2-6-15-38)33-50-51(41)42-16-7-9-19-47(42)55-50/h1-33H
InChIKeyNJXVEPSERUEQLR-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-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301401
N-dibenzofuran-1-yl-N-(4-phenanthren-3-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-3-amine
CID 176765441
N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 176765087
5-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 176765247
N-dibenzofuran-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170301528
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186868
N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N,4-diphenylaniline
CID 170030744
2-N,6-N-di(dibenzofuran-1-yl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 89254671
5-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine
CID 176765192
2-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N,N-bis(4-phenylphenyl)aniline
CID 170301670
N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-1-amine
CID 139297932

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine?
The IUPAC name of N-dibenzofuran-1-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine (CID 176765019) is N-dibenzofuran-1-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-1-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)c(-c4ccccc4)cc4oc6ccccc6c45)c4cccc5oc6ccccc6c45)cc3)cc2)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine?
The InChIKey is NJXVEPSERUEQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-3-12-34(13-4-1)35-22-24-36(25-23-35)37-26-28-39(29-27-37)53(46-18-11-21-49-52(46)43-17-8-10-20-48(43)54-49)40-30-31-41-45(32-40)44(38-14-5-2-6-15-38)33-50-51(41)42-16-7-9-19-47(42)55-50/h1-33H.
What are the key properties of N-dibenzofuran-1-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine?
N-dibenzofuran-1-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-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-dibenzofuran-1-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine is sourced from PubChem (CID 176765019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).