9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-7,9-diphenylfluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-N-(2,6-difluorophenyl)-7,9-diphenylfluoren-2-amine

C102H68F4N2O2 — CID 166686278

IUPAC9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-7,9-diphenylfluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-N-(2,6-difluorophenyl)-7,9-diphenylfluoren-2-amine
SMILESFc1cccc(F)c1N(c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccc(Oc5ccc6c(c5)CC6)cc3)c3cc(-c5ccccc5)ccc3-4)c3c(F)cccc3F)cc2)cc1)c1ccc2c(c1)C(c1ccccc1)(c1ccc(Oc3ccc4c(c3)CC4)cc1)c1cc(-c3ccccc3)ccc1-2
InChIInChI=1S/C102H68F4N2O2/c103-95-23-13-24-96(104)99(95)107(81-47-57-89-87-55-37-73(65-15-5-1-6-16-65)61-91(87)101(93(89)63-81,75-19-9-3-10-20-75)77-39-51-83(52-40-77)109-85-49-35-69-27-29-71(69)59-85)79-43-31-67(32-44-79)68-33-45-80(46-34-68)108(100-97(105)25-14-26-98(100)106)82-48-58-90-88-56-38-74(66-17-7-2-8-18-66)62-92(88)102(94(90)64-82,76-21-11-4-12-22-76)78-41-53-84(54-42-78)110-86-50-36-70-28-30-72(70)60-86/h1-26,31-64H,27-30H2
InChIKeyHPVLTBNRMYSXGK-UHFFFAOYSA-N
MW1429.67 g/mol
LogP26.69
Rot. Bonds17

About 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-7,9-diphenylfluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-N-(2,6-difluorophenyl)-7,9-diphenylfluoren-2-amine

9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-7,9-diphenylfluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-N-(2,6-difluorophenyl)-7,9-diphenylfluoren-2-amine (PubChem CID 166686278) has the molecular formula C102H68F4N2O2 and a molecular weight of 1429.67 g/mol. Its IUPAC name is 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-7,9-diphenylfluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-N-(2,6-difluorophenyl)-7,9-diphenylfluoren-2-amine.

Molecular Properties

Compound Name9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-7,9-diphenylfluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-N-(2,6-difluorophenyl)-7,9-diphenylfluoren-2-amine
PubChem CID166686278
Molecular FormulaC102H68F4N2O2
Molecular Weight1429.67 g/mol
Exact Mass1428.52
IUPAC Name9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-7,9-diphenylfluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-N-(2,6-difluorophenyl)-7,9-diphenylfluoren-2-amine
SMILESFc1cccc(F)c1N(c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccc(Oc5ccc6c(c5)CC6)cc3)c3cc(-c5ccccc5)ccc3-4)c3c(F)cccc3F)cc2)cc1)c1ccc2c(c1)C(c1ccccc1)(c1ccc(Oc3ccc4c(c3)CC4)cc1)c1cc(-c3ccccc3)ccc1-2
InChIInChI=1S/C102H68F4N2O2/c103-95-23-13-24-96(104)99(95)107(81-47-57-89-87-55-37-73(65-15-5-1-6-16-65)61-91(87)101(93(89)63-81,75-19-9-3-10-20-75)77-39-51-83(52-40-77)109-85-49-35-69-27-29-71(69)59-85)79-43-31-67(32-44-79)68-33-45-80(46-34-68)108(100-97(105)25-14-26-98(100)106)82-48-58-90-88-56-38-74(66-17-7-2-8-18-66)62-92(88)102(94(90)64-82,76-21-11-4-12-22-76)78-41-53-84(54-42-78)110-86-50-36-70-28-30-72(70)60-86/h1-26,31-64H,27-30H2
InChIKeyHPVLTBNRMYSXGK-UHFFFAOYSA-N
XLogP26.69
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001429.67
LogP ≤ 526.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-7,9-diphenylfluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-N-(2,6-difluorophenyl)-7,9-diphenylfluoren-2-amine with MolForge

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Related Compounds

9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-N-(3-fluorophenyl)-9-(4-methylphenyl)fluoren-2-amine
CID 167019644
9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-9-naphthalen-2-ylfluoren-2-yl]anilino)phenyl]phenyl]-9-naphthalen-2-yl-N-phenylfluoren-2-amine
CID 146516566
2-N,7-N-bis[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine
CID 140895854
9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylsulfanyl)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylsulfanyl)phenyl]-7,9-diphenylfluoren-2-yl]anilino)phenyl]phenyl]-N,7,9-triphenylfluoren-2-amine
CID 146516771
9-(2,6-difluorophenyl)-N-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 170541591
9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-9-[4-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoro-4-methylanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluoro-4-methylphenyl)fluoren-2-amine
CID 170371149
9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 170541545
9-(2,6-difluorophenyl)-N-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[3-(4-fluorophenyl)phenyl]phenyl]fluoren-2-amine
CID 170541530
9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine
CID 166686283
9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine
CID 90277842
7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
CID 101429725
9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[3-[9-[3-(N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]anilino)phenyl]fluoren-9-yl]phenyl]anilino)phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 172547054

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-7,9-diphenylfluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-N-(2,6-difluorophenyl)-7,9-diphenylfluoren-2-amine?
The IUPAC name of 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-7,9-diphenylfluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-N-(2,6-difluorophenyl)-7,9-diphenylfluoren-2-amine (CID 166686278) is 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-7,9-diphenylfluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-N-(2,6-difluorophenyl)-7,9-diphenylfluoren-2-amine.
What is the SMILES notation for 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-7,9-diphenylfluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-N-(2,6-difluorophenyl)-7,9-diphenylfluoren-2-amine?
The canonical SMILES for 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-7,9-diphenylfluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-N-(2,6-difluorophenyl)-7,9-diphenylfluoren-2-amine is Fc1cccc(F)c1N(c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccc(Oc5ccc6c(c5)CC6)cc3)c3cc(-c5ccccc5)ccc3-4)c3c(F)cccc3F)cc2)cc1)c1ccc2c(c1)C(c1ccccc1)(c1ccc(Oc3ccc4c(c3)CC4)cc1)c1cc(-c3ccccc3)ccc1-2.
What is the InChIKey of 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-7,9-diphenylfluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-N-(2,6-difluorophenyl)-7,9-diphenylfluoren-2-amine?
The InChIKey is HPVLTBNRMYSXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H68F4N2O2/c103-95-23-13-24-96(104)99(95)107(81-47-57-89-87-55-37-73(65-15-5-1-6-16-65)61-91(87)101(93(89)63-81,75-19-9-3-10-20-75)77-39-51-83(52-40-77)109-85-49-35-69-27-29-71(69)59-85)79-43-31-67(32-44-79)68-33-45-80(46-34-68)108(100-97(105)25-14-26-98(100)106)82-48-58-90-88-56-38-74(66-17-7-2-8-18-66)62-92(88)102(94(90)64-82,76-21-11-4-12-22-76)78-41-53-84(54-42-78)110-86-50-36-70-28-30-72(70)60-86/h1-26,31-64H,27-30H2.
What are the key properties of 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-7,9-diphenylfluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-N-(2,6-difluorophenyl)-7,9-diphenylfluoren-2-amine?
9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-7,9-diphenylfluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-N-(2,6-difluorophenyl)-7,9-diphenylfluoren-2-amine has a molecular weight of 1429.67 g/mol, XLogP of 26.69, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-7,9-diphenylfluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-N-(2,6-difluorophenyl)-7,9-diphenylfluoren-2-amine is sourced from PubChem (CID 166686278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).