9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-naphthalen-2-ylfluoren-2-yl]anilino)phenyl]phenyl]-9-naphthalen-2-yl-N-phenylfluoren-2-amine;9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine
C192H156N4O6S4 — CID 158865114
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-naphthalen-2-ylfluoren-2-yl]anilino)phenyl]phenyl]-9-naphthalen-2-yl-N-phenylfluoren-2-amine;9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine
SMILESCCC1(CSc2ccc(C3(c4ccc(Oc5ccccc5)cc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccc(Oc9ccccc9)cc7)(c7ccc(SCC9(CC)COC9)cc7)c7ccccc7-8)cc6)cc5)cc43)cc2)COC1.CCC1(CSc2ccc(C3(c4ccc5ccccc5c4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccc(SCC9(CC)COC9)cc7)(c7ccc9ccccc9c7)c7ccccc7-8)cc6)cc5)cc43)cc2)COC1
InChIInChI=1S/C98H80N2O4S2.C94H76N2O2S2/c1-3-95(63-101-64-95)67-105-85-55-41-73(42-56-85)97(71-37-51-83(52-38-71)103-81-25-13-7-14-26-81)91-31-19-17-29-87(91)89-59-49-79(61-93(89)97)99(75-21-9-5-10-22-75)77-45-33-69(34-46-77)70-35-47-78(48-36-70)100(76-23-11-6-12-24-76)80-50-60-90-88-30-18-20-32-92(88)98(94(90)62-80,72-39-53-84(54-40-72)104-82-27-15-8-16-28-82)74-43-57-86(58-44-74)106-68-96(4-2)65-102-66-96;1-3-91(59-97-60-91)63-99-81-49-39-71(40-50-81)93(73-37-31-65-19-11-13-21-69(65)55-73)87-29-17-15-27-83(87)85-53-47-79(57-89(85)93)95(75-23-7-5-8-24-75)77-43-33-67(34-44-77)68-35-45-78(46-36-68)96(76-25-9-6-10-26-76)80-48-54-86-84-28-16-18-30-88(84)94(90(86)58-80,74-38-32-66-20-12-14-22-70(66)56-74)72-41-51-82(52-42-72)100-64-92(4-2)61-98-62-92/h5-62H,3-4,63-68H2,1-2H3;5-58H,3-4,59-64H2,1-2H3
InChIKeyJBDAULTVQRMNTD-UHFFFAOYSA-N
MW2743.65 g/mol
LogP50.00
Rot. Bonds42
About 9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-naphthalen-2-ylfluoren-2-yl]anilino)phenyl]phenyl]-9-naphthalen-2-yl-N-phenylfluoren-2-amine;9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine
9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-naphthalen-2-ylfluoren-2-yl]anilino)phenyl]phenyl]-9-naphthalen-2-yl-N-phenylfluoren-2-amine;9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine (PubChem CID 158865114) has the molecular formula C192H156N4O6S4 and a molecular weight of 2743.65 g/mol. Its IUPAC name is 9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-naphthalen-2-ylfluoren-2-yl]anilino)phenyl]phenyl]-9-naphthalen-2-yl-N-phenylfluoren-2-amine;9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine.
Molecular Properties
| Compound Name | 9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-naphthalen-2-ylfluoren-2-yl]anilino)phenyl]phenyl]-9-naphthalen-2-yl-N-phenylfluoren-2-amine;9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine |
|---|---|
| PubChem CID | 158865114 |
| Molecular Formula | C192H156N4O6S4 |
| Molecular Weight | 2743.65 g/mol |
| Exact Mass | 2741.09 |
| IUPAC Name | 9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-naphthalen-2-ylfluoren-2-yl]anilino)phenyl]phenyl]-9-naphthalen-2-yl-N-phenylfluoren-2-amine;9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine |
| SMILES | CCC1(CSc2ccc(C3(c4ccc(Oc5ccccc5)cc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccc(Oc9ccccc9)cc7)(c7ccc(SCC9(CC)COC9)cc7)c7ccccc7-8)cc6)cc5)cc43)cc2)COC1.CCC1(CSc2ccc(C3(c4ccc5ccccc5c4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccc(SCC9(CC)COC9)cc7)(c7ccc9ccccc9c7)c7ccccc7-8)cc6)cc5)cc43)cc2)COC1 |
| InChI | InChI=1S/C98H80N2O4S2.C94H76N2O2S2/c1-3-95(63-101-64-95)67-105-85-55-41-73(42-56-85)97(71-37-51-83(52-38-71)103-81-25-13-7-14-26-81)91-31-19-17-29-87(91)89-59-49-79(61-93(89)97)99(75-21-9-5-10-22-75)77-45-33-69(34-46-77)70-35-47-78(48-36-70)100(76-23-11-6-12-24-76)80-50-60-90-88-30-18-20-32-92(88)98(94(90)62-80,72-39-53-84(54-40-72)104-82-27-15-8-16-28-82)74-43-57-86(58-44-74)106-68-96(4-2)65-102-66-96;1-3-91(59-97-60-91)63-99-81-49-39-71(40-50-81)93(73-37-31-65-19-11-13-21-69(65)55-73)87-29-17-15-27-83(87)85-53-47-79(57-89(85)93)95(75-23-7-5-8-24-75)77-43-33-67(34-44-77)68-35-45-78(46-36-68)96(76-25-9-6-10-26-76)80-48-54-86-84-28-16-18-30-88(84)94(90(86)58-80,74-38-32-66-20-12-14-22-70(66)56-74)72-41-51-82(52-42-72)100-64-92(4-2)61-98-62-92/h5-62H,3-4,63-68H2,1-2H3;5-58H,3-4,59-64H2,1-2H3 |
| InChIKey | JBDAULTVQRMNTD-UHFFFAOYSA-N |
| XLogP | 50.00 |
| TPSA | 68.34 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 206 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2743.65 |
| LogP ≤ 5 | 50.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |
Frequently Asked Questions
What is the IUPAC name of 9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-naphthalen-2-ylfluoren-2-yl]anilino)phenyl]phenyl]-9-naphthalen-2-yl-N-phenylfluoren-2-amine;9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine?
The IUPAC name of 9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-naphthalen-2-ylfluoren-2-yl]anilino)phenyl]phenyl]-9-naphthalen-2-yl-N-phenylfluoren-2-amine;9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine (CID 158865114) is 9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-naphthalen-2-ylfluoren-2-yl]anilino)phenyl]phenyl]-9-naphthalen-2-yl-N-phenylfluoren-2-amine;9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine.
What is the SMILES notation for 9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-naphthalen-2-ylfluoren-2-yl]anilino)phenyl]phenyl]-9-naphthalen-2-yl-N-phenylfluoren-2-amine;9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine?
The canonical SMILES for 9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-naphthalen-2-ylfluoren-2-yl]anilino)phenyl]phenyl]-9-naphthalen-2-yl-N-phenylfluoren-2-amine;9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine is CCC1(CSc2ccc(C3(c4ccc(Oc5ccccc5)cc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccc(Oc9ccccc9)cc7)(c7ccc(SCC9(CC)COC9)cc7)c7ccccc7-8)cc6)cc5)cc43)cc2)COC1.CCC1(CSc2ccc(C3(c4ccc5ccccc5c4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccc(SCC9(CC)COC9)cc7)(c7ccc9ccccc9c7)c7ccccc7-8)cc6)cc5)cc43)cc2)COC1.
What is the InChIKey of 9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-naphthalen-2-ylfluoren-2-yl]anilino)phenyl]phenyl]-9-naphthalen-2-yl-N-phenylfluoren-2-amine;9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine?
The InChIKey is JBDAULTVQRMNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H80N2O4S2.C94H76N2O2S2/c1-3-95(63-101-64-95)67-105-85-55-41-73(42-56-85)97(71-37-51-83(52-38-71)103-81-25-13-7-14-26-81)91-31-19-17-29-87(91)89-59-49-79(61-93(89)97)99(75-21-9-5-10-22-75)77-45-33-69(34-46-77)70-35-47-78(48-36-70)100(76-23-11-6-12-24-76)80-50-60-90-88-30-18-20-32-92(88)98(94(90)62-80,72-39-53-84(54-40-72)104-82-27-15-8-16-28-82)74-43-57-86(58-44-74)106-68-96(4-2)65-102-66-96;1-3-91(59-97-60-91)63-99-81-49-39-71(40-50-81)93(73-37-31-65-19-11-13-21-69(65)55-73)87-29-17-15-27-83(87)85-53-47-79(57-89(85)93)95(75-23-7-5-8-24-75)77-43-33-67(34-44-77)68-35-45-78(46-36-68)96(76-25-9-6-10-26-76)80-48-54-86-84-28-16-18-30-88(84)94(90(86)58-80,74-38-32-66-20-12-14-22-70(66)56-74)72-41-51-82(52-42-72)100-64-92(4-2)61-98-62-92/h5-62H,3-4,63-68H2,1-2H3;5-58H,3-4,59-64H2,1-2H3.
What are the key properties of 9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-naphthalen-2-ylfluoren-2-yl]anilino)phenyl]phenyl]-9-naphthalen-2-yl-N-phenylfluoren-2-amine;9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine?
9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-naphthalen-2-ylfluoren-2-yl]anilino)phenyl]phenyl]-9-naphthalen-2-yl-N-phenylfluoren-2-amine;9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine has a molecular weight of 2743.65 g/mol, XLogP of 50.00, 42 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-naphthalen-2-ylfluoren-2-yl]anilino)phenyl]phenyl]-9-naphthalen-2-yl-N-phenylfluoren-2-amine;9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine is sourced from PubChem (CID 158865114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158865114 — identifiers, structure, computed properties (public domain)
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