N,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline

C52H35NO — CID 176765163

IUPACN,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c(-c4ccccc4)cc4oc6ccccc6c45)cc3)c2)cc1
InChIInChI=1S/C52H35NO/c1-5-15-36(16-6-1)41-31-42(37-17-7-2-8-18-37)33-45(32-41)53(43-21-11-4-12-22-43)44-28-25-38(26-29-44)40-27-30-46-49(34-40)48(39-19-9-3-10-20-39)35-51-52(46)47-23-13-14-24-50(47)54-51/h1-35H
InChIKeyIROAZPZCMREBPY-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About N,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline

N,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline (PubChem CID 176765163) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is N,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline
PubChem CID176765163
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC NameN,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c(-c4ccccc4)cc4oc6ccccc6c45)cc3)c2)cc1
InChIInChI=1S/C52H35NO/c1-5-15-36(16-6-1)41-31-42(37-17-7-2-8-18-37)33-45(32-41)53(43-21-11-4-12-22-43)44-28-25-38(26-29-44)40-27-30-46-49(34-40)48(39-19-9-3-10-20-39)35-51-52(46)47-23-13-14-24-50(47)54-51/h1-35H
InChIKeyIROAZPZCMREBPY-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-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N,4-diphenylaniline
CID 170030744
N-phenyl-6-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 176765434
5-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 176765247
N,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline
CID 176808418
N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]dibenzofuran-2-amine
CID 176765348
N-dibenzofuran-3-yl-5-(3,5-diphenylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine
CID 170301707
N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 176765087
N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]naphthalen-2-amine
CID 176765370
N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 118405810
N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 162048337
N-[4-(5-naphthalen-2-ylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-N,3-diphenylaniline
CID 176765144
N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]naphthalen-1-amine
CID 176765298

Frequently Asked Questions

What is the IUPAC name of N,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline?
The IUPAC name of N,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline (CID 176765163) is N,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline.
What is the SMILES notation for N,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline?
The canonical SMILES for N,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c(-c4ccccc4)cc4oc6ccccc6c45)cc3)c2)cc1.
What is the InChIKey of N,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline?
The InChIKey is IROAZPZCMREBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-5-15-36(16-6-1)41-31-42(37-17-7-2-8-18-37)33-45(32-41)53(43-21-11-4-12-22-43)44-28-25-38(26-29-44)40-27-30-46-49(34-40)48(39-19-9-3-10-20-39)35-51-52(46)47-23-13-14-24-50(47)54-51/h1-35H.
What are the key properties of N,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline?
N,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline 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,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline is sourced from PubChem (CID 176765163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).