4-[9-[4-[[4-[5-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)butoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[6-(3-ethyloxetan-3-yl)hexoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline

C269H242N6O8 — CID 161059469

About 4-[9-[4-[[4-[5-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)butoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[6-(3-ethyloxetan-3-yl)hexoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline

4-[9-[4-[[4-[5-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)butoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[6-(3-ethyloxetan-3-yl)hexoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline (PubChem CID 161059469) has the molecular formula C269H242N6O8 and a molecular weight of 3686.93 g/mol. Its IUPAC name is 4-[9-[4-[[4-[5-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)butoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[6-(3-ethyloxetan-3-yl)hexoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline.

Molecular Properties

• Compound Name: 4-[9-[4-[[4-[5-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)butoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[6-(3-ethyloxetan-3-yl)hexoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline
• PubChem CID: 161059469
• Molecular Formula: C269H242N6O8
• Molecular Weight: 3686.93 g/mol
• Exact Mass: 3683.87
• IUPAC Name: 4-[9-[4-[[4-[5-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)butoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[6-(3-ethyloxetan-3-yl)hexoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline
• SMILES: CCC(CC(C)c1ccc(OCC2(CC)COC2)cc1)c1ccc(COc2ccc(C3(c4ccccc4)c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc43)cc2)cc1.CCC(CC(C)c1ccc(OCCCCCCC2(CC)COC2)cc1)c1ccc(COc2ccc(C3(c4ccccc4)c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc43)cc2)cc1.CCC(CC(C)c1ccc(OCCCCc2ccc3c(c2)CC3)cc1)c1ccc(COc2ccc(C3(c4ccccc4)c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc43)cc2)cc1
• InChI: InChI=1S/C92H80N2O2.C91H86N2O3.C86H76N2O3/c1-3-69(61-66(2)70-44-54-86(55-45-70)95-60-20-19-21-67-32-35-72-38-39-75(72)62-67)71-36-33-68(34-37-71)65-96-87-56-48-79(49-57-87)92(78-22-9-4-10-23-78)90-63-76(73-40-50-84(51-41-73)93(80-24-11-5-12-25-80)81-26-13-6-14-27-81)46-58-88(90)89-59-47-77(64-91(89)92)74-42-52-85(53-43-74)94(82-28-15-7-16-29-82)83-30-17-8-18-31-83;1-4-69(61-67(3)70-43-53-84(54-44-70)95-60-24-7-6-23-59-90(5-2)65-94-66-90)71-37-35-68(36-38-71)64-96-85-55-47-77(48-56-85)91(76-25-13-8-14-26-76)88-62-74(72-39-49-82(50-40-72)92(78-27-15-9-16-28-78)79-29-17-10-18-30-79)45-57-86(88)87-58-46-75(63-89(87)91)73-41-51-83(52-42-73)93(80-31-19-11-20-32-80)81-33-21-12-22-34-81;1-4-64(55-62(3)65-39-49-80(50-40-65)91-61-85(5-2)59-89-60-85)66-33-31-63(32-34-66)58-90-79-51-43-72(44-52-79)86(71-21-11-6-12-22-71)83-56-69(67-35-45-77(46-36-67)87(73-23-13-7-14-24-73)74-25-15-8-16-26-74)41-53-81(83)82-54-42-70(57-84(82)86)68-37-47-78(48-38-68)88(75-27-17-9-18-28-75)76-29-19-10-20-30-76/h4-18,22-37,40-59,62-64,66,69H,3,19-21,38-39,60-61,65H2,1-2H3;8-22,25-58,62-63,67,69H,4-7,23-24,59-61,64-66H2,1-3H3;6-54,56-57,62,64H,4-5,55,58-61H2,1-3H3
• InChIKey: UDEZGCPPBJAWBM-UHFFFAOYSA-N
• XLogP: 70.83
• TPSA: 93.28 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 73
• Heavy Atoms: 283
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3686.93
LogP ≤ 5	70.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[9-[4-[[4-[5-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)butoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[6-(3-ethyloxetan-3-yl)hexoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline?

The IUPAC name of 4-[9-[4-[[4-[5-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)butoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[6-(3-ethyloxetan-3-yl)hexoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline (CID 161059469) is 4-[9-[4-[[4-[5-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)butoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[6-(3-ethyloxetan-3-yl)hexoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline.

What is the SMILES notation for 4-[9-[4-[[4-[5-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)butoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[6-(3-ethyloxetan-3-yl)hexoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline?

The canonical SMILES for 4-[9-[4-[[4-[5-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)butoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[6-(3-ethyloxetan-3-yl)hexoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline is CCC(CC(C)c1ccc(OCC2(CC)COC2)cc1)c1ccc(COc2ccc(C3(c4ccccc4)c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc43)cc2)cc1.CCC(CC(C)c1ccc(OCCCCCCC2(CC)COC2)cc1)c1ccc(COc2ccc(C3(c4ccccc4)c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc43)cc2)cc1.CCC(CC(C)c1ccc(OCCCCc2ccc3c(c2)CC3)cc1)c1ccc(COc2ccc(C3(c4ccccc4)c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc43)cc2)cc1.

What is the InChIKey of 4-[9-[4-[[4-[5-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)butoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[6-(3-ethyloxetan-3-yl)hexoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline?

The InChIKey is UDEZGCPPBJAWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H80N2O2.C91H86N2O3.C86H76N2O3/c1-3-69(61-66(2)70-44-54-86(55-45-70)95-60-20-19-21-67-32-35-72-38-39-75(72)62-67)71-36-33-68(34-37-71)65-96-87-56-48-79(49-57-87)92(78-22-9-4-10-23-78)90-63-76(73-40-50-84(51-41-73)93(80-24-11-5-12-25-80)81-26-13-6-14-27-81)46-58-88(90)89-59-47-77(64-91(89)92)74-42-52-85(53-43-74)94(82-28-15-7-16-29-82)83-30-17-8-18-31-83;1-4-69(61-67(3)70-43-53-84(54-44-70)95-60-24-7-6-23-59-90(5-2)65-94-66-90)71-37-35-68(36-38-71)64-96-85-55-47-77(48-56-85)91(76-25-13-8-14-26-76)88-62-74(72-39-49-82(50-40-72)92(78-27-15-9-16-28-78)79-29-17-10-18-30-79)45-57-86(88)87-58-46-75(63-89(87)91)73-41-51-83(52-42-73)93(80-31-19-11-20-32-80)81-33-21-12-22-34-81;1-4-64(55-62(3)65-39-49-80(50-40-65)91-61-85(5-2)59-89-60-85)66-33-31-63(32-34-66)58-90-79-51-43-72(44-52-79)86(71-21-11-6-12-22-71)83-56-69(67-35-45-77(46-36-67)87(73-23-13-7-14-24-73)74-25-15-8-16-26-74)41-53-81(83)82-54-42-70(57-84(82)86)68-37-47-78(48-38-68)88(75-27-17-9-18-28-75)76-29-19-10-20-30-76/h4-18,22-37,40-59,62-64,66,69H,3,19-21,38-39,60-61,65H2,1-2H3;8-22,25-58,62-63,67,69H,4-7,23-24,59-61,64-66H2,1-3H3;6-54,56-57,62,64H,4-5,55,58-61H2,1-3H3.

What are the key properties of 4-[9-[4-[[4-[5-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)butoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[6-(3-ethyloxetan-3-yl)hexoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline?

4-[9-[4-[[4-[5-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)butoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[6-(3-ethyloxetan-3-yl)hexoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline has a molecular weight of 3686.93 g/mol, XLogP of 70.83, 73 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-[4-[[4-[5-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)butoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[6-(3-ethyloxetan-3-yl)hexoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline;4-[9-[4-[[4-[5-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-9-phenyl-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline is sourced from PubChem (CID 161059469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).