N-dibenzofuran-3-yl-5-(3,5-diphenylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine

C52H33NO2 — CID 170301707

IUPACN-dibenzofuran-3-yl-5-(3,5-diphenylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc4oc5cc(N(c6ccccc6)c6ccc7c(c6)oc6ccccc67)ccc5c4c4ccccc34)c2)cc1
InChIInChI=1S/C52H33NO2/c1-4-14-34(15-5-1)36-28-37(35-16-6-2-7-17-35)30-38(29-36)47-33-51-52(45-22-11-10-20-42(45)47)46-27-25-41(32-50(46)55-51)53(39-18-8-3-9-19-39)40-24-26-44-43-21-12-13-23-48(43)54-49(44)31-40/h1-33H
InChIKeyZATGZKPEXJPATJ-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

About N-dibenzofuran-3-yl-5-(3,5-diphenylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine

N-dibenzofuran-3-yl-5-(3,5-diphenylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 170301707) has the molecular formula C52H33NO2 and a molecular weight of 703.84 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-5-(3,5-diphenylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-5-(3,5-diphenylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine
PubChem CID170301707
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC NameN-dibenzofuran-3-yl-5-(3,5-diphenylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc4oc5cc(N(c6ccccc6)c6ccc7c(c6)oc6ccccc67)ccc5c4c4ccccc34)c2)cc1
InChIInChI=1S/C52H33NO2/c1-4-14-34(15-5-1)36-28-37(35-16-6-2-7-17-35)30-38(29-36)47-33-51-52(45-22-11-10-20-42(45)47)46-27-25-41(32-50(46)55-51)53(39-18-8-3-9-19-39)40-24-26-44-43-21-12-13-23-48(43)54-49(44)31-40/h1-33H
InChIKeyZATGZKPEXJPATJ-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-3-yl-5-(3,5-diphenylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170301754
N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808582
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N,4-diphenylaniline
CID 170030744
N,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline
CID 176765163
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176844259
N,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline
CID 176808418
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288
N-(4-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647
N-phenyl-N-(4-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 138651086
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323
N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,3-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161375277

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-5-(3,5-diphenylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of N-dibenzofuran-3-yl-5-(3,5-diphenylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine (CID 170301707) is N-dibenzofuran-3-yl-5-(3,5-diphenylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-5-(3,5-diphenylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for N-dibenzofuran-3-yl-5-(3,5-diphenylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc4oc5cc(N(c6ccccc6)c6ccc7c(c6)oc6ccccc67)ccc5c4c4ccccc34)c2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-5-(3,5-diphenylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is ZATGZKPEXJPATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-4-14-34(15-5-1)36-28-37(35-16-6-2-7-17-35)30-38(29-36)47-33-51-52(45-22-11-10-20-42(45)47)46-27-25-41(32-50(46)55-51)53(39-18-8-3-9-19-39)40-24-26-44-43-21-12-13-23-48(43)54-49(44)31-40/h1-33H.
What are the key properties of N-dibenzofuran-3-yl-5-(3,5-diphenylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine?
N-dibenzofuran-3-yl-5-(3,5-diphenylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-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-3-yl-5-(3,5-diphenylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 170301707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).