3,5-di(phenanthren-9-yl)-N,N-bis(4-phenylphenyl)aniline;4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N,N-bis[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenyl]aniline;4-[3-(4-phenylphenyl)phenyl]-N,N-bis[4-[3-(4-phenylphenyl)phenyl]phenyl]aniline

C184H147N3O6 — CID 162021133

IUPAC3,5-di(phenanthren-9-yl)-N,N-bis(4-phenylphenyl)aniline;4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N,N-bis[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenyl]aniline;4-[3-(4-phenylphenyl)phenyl]-N,N-bis[4-[3-(4-phenylphenyl)phenyl]phenyl]aniline
SMILESCCC1(COc2ccc(-c3ccc(N(c4ccc(-c5ccc(OCC6(CC)COC6)cc5)cc4)c4ccc(-c5ccc(OCC6(CC)COC6)cc5)cc4)cc3)cc2)COC1.c1ccc(-c2ccc(-c3cccc(-c4ccc(N(c5ccc(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)cc5)c5ccc(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)cc5)cc4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1
InChIInChI=1S/C72H51N.C58H39N.C54H57NO6/c1-4-13-52(14-5-1)55-25-31-58(32-26-55)64-19-10-22-67(49-64)61-37-43-70(44-38-61)73(71-45-39-62(40-46-71)68-23-11-20-65(50-68)59-33-27-56(28-34-59)53-15-6-2-7-16-53)72-47-41-63(42-48-72)69-24-12-21-66(51-69)60-35-29-57(30-36-60)54-17-8-3-9-18-54;1-3-15-40(16-4-1)42-27-31-48(32-28-42)59(49-33-29-43(30-34-49)41-17-5-2-6-18-41)50-36-46(57-38-44-19-7-9-21-51(44)53-23-11-13-25-55(53)57)35-47(37-50)58-39-45-20-8-10-22-52(45)54-24-12-14-26-56(54)58;1-4-52(31-56-32-52)37-59-49-25-13-43(14-26-49)40-7-19-46(20-8-40)55(47-21-9-41(10-22-47)44-15-27-50(28-16-44)60-38-53(5-2)33-57-34-53)48-23-11-42(12-24-48)45-17-29-51(30-18-45)61-39-54(6-3)35-58-36-54/h1-51H;1-39H;7-30H,4-6,31-39H2,1-3H3
InChIKeyYUTLQHLMWYOTFC-UHFFFAOYSA-N
MW2496.21 g/mol
LogP49.17
Rot. Bonds37

About 3,5-di(phenanthren-9-yl)-N,N-bis(4-phenylphenyl)aniline;4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N,N-bis[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenyl]aniline;4-[3-(4-phenylphenyl)phenyl]-N,N-bis[4-[3-(4-phenylphenyl)phenyl]phenyl]aniline

3,5-di(phenanthren-9-yl)-N,N-bis(4-phenylphenyl)aniline;4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N,N-bis[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenyl]aniline;4-[3-(4-phenylphenyl)phenyl]-N,N-bis[4-[3-(4-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 162021133) has the molecular formula C184H147N3O6 and a molecular weight of 2496.21 g/mol. Its IUPAC name is 3,5-di(phenanthren-9-yl)-N,N-bis(4-phenylphenyl)aniline;4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N,N-bis[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenyl]aniline;4-[3-(4-phenylphenyl)phenyl]-N,N-bis[4-[3-(4-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name3,5-di(phenanthren-9-yl)-N,N-bis(4-phenylphenyl)aniline;4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N,N-bis[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenyl]aniline;4-[3-(4-phenylphenyl)phenyl]-N,N-bis[4-[3-(4-phenylphenyl)phenyl]phenyl]aniline
PubChem CID162021133
Molecular FormulaC184H147N3O6
Molecular Weight2496.21 g/mol
Exact Mass2494.13
IUPAC Name3,5-di(phenanthren-9-yl)-N,N-bis(4-phenylphenyl)aniline;4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N,N-bis[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenyl]aniline;4-[3-(4-phenylphenyl)phenyl]-N,N-bis[4-[3-(4-phenylphenyl)phenyl]phenyl]aniline
SMILESCCC1(COc2ccc(-c3ccc(N(c4ccc(-c5ccc(OCC6(CC)COC6)cc5)cc4)c4ccc(-c5ccc(OCC6(CC)COC6)cc5)cc4)cc3)cc2)COC1.c1ccc(-c2ccc(-c3cccc(-c4ccc(N(c5ccc(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)cc5)c5ccc(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)cc5)cc4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1
InChIInChI=1S/C72H51N.C58H39N.C54H57NO6/c1-4-13-52(14-5-1)55-25-31-58(32-26-55)64-19-10-22-67(49-64)61-37-43-70(44-38-61)73(71-45-39-62(40-46-71)68-23-11-20-65(50-68)59-33-27-56(28-34-59)53-15-6-2-7-16-53)72-47-41-63(42-48-72)69-24-12-21-66(51-69)60-35-29-57(30-36-60)54-17-8-3-9-18-54;1-3-15-40(16-4-1)42-27-31-48(32-28-42)59(49-33-29-43(30-34-49)41-17-5-2-6-18-41)50-36-46(57-38-44-19-7-9-21-51(44)53-23-11-13-25-55(53)57)35-47(37-50)58-39-45-20-8-10-22-52(45)54-24-12-14-26-56(54)58;1-4-52(31-56-32-52)37-59-49-25-13-43(14-26-49)40-7-19-46(20-8-40)55(47-21-9-41(10-22-47)44-15-27-50(28-16-44)60-38-53(5-2)33-57-34-53)48-23-11-42(12-24-48)45-17-29-51(30-18-45)61-39-54(6-3)35-58-36-54/h1-51H;1-39H;7-30H,4-6,31-39H2,1-3H3
InChIKeyYUTLQHLMWYOTFC-UHFFFAOYSA-N
XLogP49.17
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds37
Heavy Atoms193
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002496.21
LogP ≤ 549.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3,5-di(phenanthren-9-yl)-N,N-bis(4-phenylphenyl)aniline;4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N,N-bis[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenyl]aniline;4-[3-(4-phenylphenyl)phenyl]-N,N-bis[4-[3-(4-phenylphenyl)phenyl]phenyl]aniline with MolForge

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Related Compounds

3-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline;3-phenanthren-9-yl-N-phenyl-N-(4-phenylphenyl)aniline;N-(3-phenanthren-9-ylphenyl)-3-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;3-phenanthren-9-yl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159059412
N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenanthren-9-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956539
3-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 142614449
N-(3-chrysen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline
CID 170141257
N-(4-phenanthren-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 155304054
9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-7,9-diphenylfluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-7,9-diphenylfluoren-2-amine
CID 163844192
9,9-dimethyl-7-phenanthren-9-yl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 58050458
3-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 164832159
N-(4-phenanthren-9-ylphenyl)-3-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527319
N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 163719367
N-[4-[4-(N-[4-[8-[(3-ethyloxetan-3-yl)methoxy]octoxy]phenyl]-4-phenylanilino)phenyl]phenyl]-2,4-dimethyl-N-(4-phenylphenyl)aniline
CID 59012520
N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 170401473

Frequently Asked Questions

What is the IUPAC name of 3,5-di(phenanthren-9-yl)-N,N-bis(4-phenylphenyl)aniline;4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N,N-bis[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenyl]aniline;4-[3-(4-phenylphenyl)phenyl]-N,N-bis[4-[3-(4-phenylphenyl)phenyl]phenyl]aniline?
The IUPAC name of 3,5-di(phenanthren-9-yl)-N,N-bis(4-phenylphenyl)aniline;4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N,N-bis[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenyl]aniline;4-[3-(4-phenylphenyl)phenyl]-N,N-bis[4-[3-(4-phenylphenyl)phenyl]phenyl]aniline (CID 162021133) is 3,5-di(phenanthren-9-yl)-N,N-bis(4-phenylphenyl)aniline;4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N,N-bis[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenyl]aniline;4-[3-(4-phenylphenyl)phenyl]-N,N-bis[4-[3-(4-phenylphenyl)phenyl]phenyl]aniline.
What is the SMILES notation for 3,5-di(phenanthren-9-yl)-N,N-bis(4-phenylphenyl)aniline;4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N,N-bis[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenyl]aniline;4-[3-(4-phenylphenyl)phenyl]-N,N-bis[4-[3-(4-phenylphenyl)phenyl]phenyl]aniline?
The canonical SMILES for 3,5-di(phenanthren-9-yl)-N,N-bis(4-phenylphenyl)aniline;4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N,N-bis[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenyl]aniline;4-[3-(4-phenylphenyl)phenyl]-N,N-bis[4-[3-(4-phenylphenyl)phenyl]phenyl]aniline is CCC1(COc2ccc(-c3ccc(N(c4ccc(-c5ccc(OCC6(CC)COC6)cc5)cc4)c4ccc(-c5ccc(OCC6(CC)COC6)cc5)cc4)cc3)cc2)COC1.c1ccc(-c2ccc(-c3cccc(-c4ccc(N(c5ccc(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)cc5)c5ccc(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)cc5)cc4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1.
What is the InChIKey of 3,5-di(phenanthren-9-yl)-N,N-bis(4-phenylphenyl)aniline;4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N,N-bis[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenyl]aniline;4-[3-(4-phenylphenyl)phenyl]-N,N-bis[4-[3-(4-phenylphenyl)phenyl]phenyl]aniline?
The InChIKey is YUTLQHLMWYOTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H51N.C58H39N.C54H57NO6/c1-4-13-52(14-5-1)55-25-31-58(32-26-55)64-19-10-22-67(49-64)61-37-43-70(44-38-61)73(71-45-39-62(40-46-71)68-23-11-20-65(50-68)59-33-27-56(28-34-59)53-15-6-2-7-16-53)72-47-41-63(42-48-72)69-24-12-21-66(51-69)60-35-29-57(30-36-60)54-17-8-3-9-18-54;1-3-15-40(16-4-1)42-27-31-48(32-28-42)59(49-33-29-43(30-34-49)41-17-5-2-6-18-41)50-36-46(57-38-44-19-7-9-21-51(44)53-23-11-13-25-55(53)57)35-47(37-50)58-39-45-20-8-10-22-52(45)54-24-12-14-26-56(54)58;1-4-52(31-56-32-52)37-59-49-25-13-43(14-26-49)40-7-19-46(20-8-40)55(47-21-9-41(10-22-47)44-15-27-50(28-16-44)60-38-53(5-2)33-57-34-53)48-23-11-42(12-24-48)45-17-29-51(30-18-45)61-39-54(6-3)35-58-36-54/h1-51H;1-39H;7-30H,4-6,31-39H2,1-3H3.
What are the key properties of 3,5-di(phenanthren-9-yl)-N,N-bis(4-phenylphenyl)aniline;4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N,N-bis[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenyl]aniline;4-[3-(4-phenylphenyl)phenyl]-N,N-bis[4-[3-(4-phenylphenyl)phenyl]phenyl]aniline?
3,5-di(phenanthren-9-yl)-N,N-bis(4-phenylphenyl)aniline;4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N,N-bis[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenyl]aniline;4-[3-(4-phenylphenyl)phenyl]-N,N-bis[4-[3-(4-phenylphenyl)phenyl]phenyl]aniline has a molecular weight of 2496.21 g/mol, XLogP of 49.17, 37 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(phenanthren-9-yl)-N,N-bis(4-phenylphenyl)aniline;4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N,N-bis[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenyl]aniline;4-[3-(4-phenylphenyl)phenyl]-N,N-bis[4-[3-(4-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 162021133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).