4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine

C136H90N4O2 — CID 162213494

IUPAC4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C70H46N2O.C66H44N2O/c1-2-16-53(17-3-1)72(68-26-12-15-50-14-4-5-18-58(50)68)57-41-30-48(31-42-57)47-28-37-54(38-29-47)71(56-43-34-51(35-44-56)59-24-13-25-66-65-23-10-11-27-69(65)73-70(59)66)55-39-32-49(33-40-55)52-36-45-64-62-21-7-6-19-60(62)61-20-8-9-22-63(61)67(64)46-52;1-3-14-50(15-4-1)67(51-16-5-2-6-17-51)52-35-26-45(27-36-52)46-28-37-53(38-29-46)68(55-41-32-48(33-42-55)56-23-13-24-63-62-22-11-12-25-65(62)69-66(56)63)54-39-30-47(31-40-54)49-34-43-61-59-20-8-7-18-57(59)58-19-9-10-21-60(58)64(61)44-49/h1-46H;1-44H
InChIKeyZTDZNLGJGHQXOS-UHFFFAOYSA-N
MW1812.24 g/mol
LogP39.13
Rot. Bonds18

About 4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine

4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 162213494) has the molecular formula C136H90N4O2 and a molecular weight of 1812.24 g/mol. Its IUPAC name is 4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound Name4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID162213494
Molecular FormulaC136H90N4O2
Molecular Weight1812.24 g/mol
Exact Mass1810.71
IUPAC Name4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C70H46N2O.C66H44N2O/c1-2-16-53(17-3-1)72(68-26-12-15-50-14-4-5-18-58(50)68)57-41-30-48(31-42-57)47-28-37-54(38-29-47)71(56-43-34-51(35-44-56)59-24-13-25-66-65-23-10-11-27-69(65)73-70(59)66)55-39-32-49(33-40-55)52-36-45-64-62-21-7-6-19-60(62)61-20-8-9-22-63(61)67(64)46-52;1-3-14-50(15-4-1)67(51-16-5-2-6-17-51)52-35-26-45(27-36-52)46-28-37-53(38-29-46)68(55-41-32-48(33-42-55)56-23-13-24-63-62-22-11-12-25-65(62)69-66(56)63)54-39-30-47(31-40-54)49-34-43-61-59-20-8-7-18-57(59)58-19-9-10-21-60(58)64(61)44-49/h1-46H;1-44H
InChIKeyZTDZNLGJGHQXOS-UHFFFAOYSA-N
XLogP39.13
TPSA39.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001812.24
LogP ≤ 539.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine with MolForge

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Related Compounds

4-[4-[4-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157429192
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157079303
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenylaniline
CID 158645308
5-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118604838
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396678
N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 89491956
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168803987
N-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168805257
N-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-4-ylphenyl)-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline;N-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 160744349
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-1-amine
CID 168805250
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804081

Frequently Asked Questions

What is the IUPAC name of 4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of 4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 162213494) is 4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for 4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for 4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine is c1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is ZTDZNLGJGHQXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2O.C66H44N2O/c1-2-16-53(17-3-1)72(68-26-12-15-50-14-4-5-18-58(50)68)57-41-30-48(31-42-57)47-28-37-54(38-29-47)71(56-43-34-51(35-44-56)59-24-13-25-66-65-23-10-11-27-69(65)73-70(59)66)55-39-32-49(33-40-55)52-36-45-64-62-21-7-6-19-60(62)61-20-8-9-22-63(61)67(64)46-52;1-3-14-50(15-4-1)67(51-16-5-2-6-17-51)52-35-26-45(27-36-52)46-28-37-53(38-29-46)68(55-41-32-48(33-42-55)56-23-13-24-63-62-22-11-12-25-65(62)69-66(56)63)54-39-30-47(31-40-54)49-34-43-61-59-20-8-7-18-57(59)58-19-9-10-21-60(58)64(61)44-49/h1-46H;1-44H.
What are the key properties of 4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 1812.24 g/mol, XLogP of 39.13, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 162213494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).