3-[6,10-bis[3-(N-phenylanilino)phenoxy]triphenylen-2-yl]oxy-N,N-diphenylaniline

C72H51N3O3 — CID 163456030

IUPAC3-[6,10-bis[3-(N-phenylanilino)phenoxy]triphenylen-2-yl]oxy-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cccc(Oc3ccc4c(c3)c3ccc(Oc5cccc(N(c6ccccc6)c6ccccc6)c5)cc3c3ccc(Oc5cccc(N(c6ccccc6)c6ccccc6)c5)cc43)c2)cc1
InChIInChI=1S/C72H51N3O3/c1-7-22-52(23-8-1)73(53-24-9-2-10-25-53)58-34-19-37-61(46-58)76-64-40-43-67-70(49-64)68-44-41-65(77-62-38-20-35-59(47-62)74(54-26-11-3-12-27-54)55-28-13-4-14-29-55)51-72(68)69-45-42-66(50-71(67)69)78-63-39-21-36-60(48-63)75(56-30-15-5-16-31-56)57-32-17-6-18-33-57/h1-51H
InChIKeyJNBNLPSLVFLRAN-UHFFFAOYSA-N
MW1006.22 g/mol
LogP20.93
Rot. Bonds15

About 3-[6,10-bis[3-(N-phenylanilino)phenoxy]triphenylen-2-yl]oxy-N,N-diphenylaniline

3-[6,10-bis[3-(N-phenylanilino)phenoxy]triphenylen-2-yl]oxy-N,N-diphenylaniline (PubChem CID 163456030) has the molecular formula C72H51N3O3 and a molecular weight of 1006.22 g/mol. Its IUPAC name is 3-[6,10-bis[3-(N-phenylanilino)phenoxy]triphenylen-2-yl]oxy-N,N-diphenylaniline.

Molecular Properties

Compound Name3-[6,10-bis[3-(N-phenylanilino)phenoxy]triphenylen-2-yl]oxy-N,N-diphenylaniline
PubChem CID163456030
Molecular FormulaC72H51N3O3
Molecular Weight1006.22 g/mol
Exact Mass1005.39
IUPAC Name3-[6,10-bis[3-(N-phenylanilino)phenoxy]triphenylen-2-yl]oxy-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cccc(Oc3ccc4c(c3)c3ccc(Oc5cccc(N(c6ccccc6)c6ccccc6)c5)cc3c3ccc(Oc5cccc(N(c6ccccc6)c6ccccc6)c5)cc43)c2)cc1
InChIInChI=1S/C72H51N3O3/c1-7-22-52(23-8-1)73(53-24-9-2-10-25-53)58-34-19-37-61(46-58)76-64-40-43-67-70(49-64)68-44-41-65(77-62-38-20-35-59(47-62)74(54-26-11-3-12-27-54)55-28-13-4-14-29-55)51-72(68)69-45-42-66(50-71(67)69)78-63-39-21-36-60(48-63)75(56-30-15-5-16-31-56)57-32-17-6-18-33-57/h1-51H
InChIKeyJNBNLPSLVFLRAN-UHFFFAOYSA-N
XLogP20.93
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001006.22
LogP ≤ 520.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylphenyl)phenyl]-N-phenyl-3-[4-(N-phenylanilino)phenoxy]aniline
CID 71009566
2-triphenylen-2-yloxytriphenylene
CID 142787718
3,5-diphenoxy-N,N-diphenylaniline
CID 158962448
N-phenyl-6-[3-(N-phenylanilino)phenoxy]-N-[3-[3-(N-phenylanilino)phenoxy]phenyl]pyren-1-amine
CID 142722014
N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]-4-tritioanilino)phenoxy]-N-(4-tritiophenyl)aniline;N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]-4-tritioanilino)phenyl]phenoxy]phenyl]phenyl]-4-tritioaniline;N-phenyl-3-tritio-N-[4-[4-(N-(3-tritiophenyl)anilino)phenoxy]phenyl]aniline;N-phenyl-3-tritio-N-[4-[4-(N-[4-[4-(N-(3-tritiophenyl)anilino)phenoxy]phenyl]anilino)phenoxy]phenyl]aniline
CID 160846288
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
7-N-dibenzothiophen-2-yl-7-N-(3-phenoxyphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N,7-N-bis(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 160665124
2-chloro-N,N-diphenyl-3-[3-(N-phenylanilino)phenoxy]aniline
CID 118220078
3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 155054486
N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 157494706
N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 58362096

Frequently Asked Questions

What is the IUPAC name of 3-[6,10-bis[3-(N-phenylanilino)phenoxy]triphenylen-2-yl]oxy-N,N-diphenylaniline?
The IUPAC name of 3-[6,10-bis[3-(N-phenylanilino)phenoxy]triphenylen-2-yl]oxy-N,N-diphenylaniline (CID 163456030) is 3-[6,10-bis[3-(N-phenylanilino)phenoxy]triphenylen-2-yl]oxy-N,N-diphenylaniline.
What is the SMILES notation for 3-[6,10-bis[3-(N-phenylanilino)phenoxy]triphenylen-2-yl]oxy-N,N-diphenylaniline?
The canonical SMILES for 3-[6,10-bis[3-(N-phenylanilino)phenoxy]triphenylen-2-yl]oxy-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2cccc(Oc3ccc4c(c3)c3ccc(Oc5cccc(N(c6ccccc6)c6ccccc6)c5)cc3c3ccc(Oc5cccc(N(c6ccccc6)c6ccccc6)c5)cc43)c2)cc1.
What is the InChIKey of 3-[6,10-bis[3-(N-phenylanilino)phenoxy]triphenylen-2-yl]oxy-N,N-diphenylaniline?
The InChIKey is JNBNLPSLVFLRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H51N3O3/c1-7-22-52(23-8-1)73(53-24-9-2-10-25-53)58-34-19-37-61(46-58)76-64-40-43-67-70(49-64)68-44-41-65(77-62-38-20-35-59(47-62)74(54-26-11-3-12-27-54)55-28-13-4-14-29-55)51-72(68)69-45-42-66(50-71(67)69)78-63-39-21-36-60(48-63)75(56-30-15-5-16-31-56)57-32-17-6-18-33-57/h1-51H.
What are the key properties of 3-[6,10-bis[3-(N-phenylanilino)phenoxy]triphenylen-2-yl]oxy-N,N-diphenylaniline?
3-[6,10-bis[3-(N-phenylanilino)phenoxy]triphenylen-2-yl]oxy-N,N-diphenylaniline has a molecular weight of 1006.22 g/mol, XLogP of 20.93, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6,10-bis[3-(N-phenylanilino)phenoxy]triphenylen-2-yl]oxy-N,N-diphenylaniline is sourced from PubChem (CID 163456030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).