9-[6-[4-(4-ethenylphenyl)phenoxy]-2,5-dimethylhexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-[2-[4-(4-ethenylphenyl)phenoxy]ethyl-dimethylsilyl]propyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
C169H140N4O2Si — CID 158867054
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC9-[6-[4-(4-ethenylphenyl)phenoxy]-2,5-dimethylhexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-[2-[4-(4-ethenylphenyl)phenoxy]ethyl-dimethylsilyl]propyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESC=Cc1ccc(-c2ccc(OCC(C)CCC(C)CC3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc7c(c6)c6cc(-c8ccc(C=C)cc8)ccc6n7-c6ccccc6)cc5)cc43)cc2)cc1.C=Cc1ccc(-c2ccc(OCC[Si](C)(C)CCCC3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc7c(c6)c6cc(-c8ccc(C=C)cc8)ccc6n7-c6ccccc6)cc5)cc43)cc2)cc1
InChIInChI=1S/C85H70N2O.C84H70N2OSi/c1-5-61-28-32-64(33-29-61)66-40-49-76(50-41-66)88-58-60(4)27-26-59(3)57-85(71-20-12-8-13-21-71)81-25-17-16-24-77(81)78-51-48-75(56-82(78)85)86(73-44-36-65(37-45-73)63-18-10-7-11-19-63)74-46-38-68(39-47-74)70-43-53-84-80(55-70)79-54-69(67-34-30-62(6-2)31-35-67)42-52-83(79)87(84)72-22-14-9-15-23-72;1-5-60-27-31-63(32-28-60)65-39-48-75(49-40-65)87-54-56-88(3,4)55-18-53-84(70-21-12-8-13-22-70)80-26-17-16-25-76(80)77-50-47-74(59-81(77)84)85(72-43-35-64(36-44-72)62-19-10-7-11-20-62)73-45-37-67(38-46-73)69-42-52-83-79(58-69)78-57-68(66-33-29-61(6-2)30-34-66)41-51-82(78)86(83)71-23-14-9-15-24-71/h5-25,28-56,59-60H,1-2,26-27,57-58H2,3-4H3;5-17,19-52,57-59H,1-2,18,53-56H2,3-4H3
InChIKeyJBJHKQZRJRSRQO-UHFFFAOYSA-N
MW2287.09 g/mol
LogP46.13
Rot. Bonds38
About 9-[6-[4-(4-ethenylphenyl)phenoxy]-2,5-dimethylhexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-[2-[4-(4-ethenylphenyl)phenoxy]ethyl-dimethylsilyl]propyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
9-[6-[4-(4-ethenylphenyl)phenoxy]-2,5-dimethylhexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-[2-[4-(4-ethenylphenyl)phenoxy]ethyl-dimethylsilyl]propyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 158867054) has the molecular formula C169H140N4O2Si and a molecular weight of 2287.09 g/mol. Its IUPAC name is 9-[6-[4-(4-ethenylphenyl)phenoxy]-2,5-dimethylhexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-[2-[4-(4-ethenylphenyl)phenoxy]ethyl-dimethylsilyl]propyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine.
Molecular Properties
| Compound Name | 9-[6-[4-(4-ethenylphenyl)phenoxy]-2,5-dimethylhexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-[2-[4-(4-ethenylphenyl)phenoxy]ethyl-dimethylsilyl]propyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine |
|---|---|
| PubChem CID | 158867054 |
| Molecular Formula | C169H140N4O2Si |
| Molecular Weight | 2287.09 g/mol |
| Exact Mass | 2285.07 |
| IUPAC Name | 9-[6-[4-(4-ethenylphenyl)phenoxy]-2,5-dimethylhexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-[2-[4-(4-ethenylphenyl)phenoxy]ethyl-dimethylsilyl]propyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine |
| SMILES | C=Cc1ccc(-c2ccc(OCC(C)CCC(C)CC3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc7c(c6)c6cc(-c8ccc(C=C)cc8)ccc6n7-c6ccccc6)cc5)cc43)cc2)cc1.C=Cc1ccc(-c2ccc(OCC[Si](C)(C)CCCC3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc7c(c6)c6cc(-c8ccc(C=C)cc8)ccc6n7-c6ccccc6)cc5)cc43)cc2)cc1 |
| InChI | InChI=1S/C85H70N2O.C84H70N2OSi/c1-5-61-28-32-64(33-29-61)66-40-49-76(50-41-66)88-58-60(4)27-26-59(3)57-85(71-20-12-8-13-21-71)81-25-17-16-24-77(81)78-51-48-75(56-82(78)85)86(73-44-36-65(37-45-73)63-18-10-7-11-19-63)74-46-38-68(39-47-74)70-43-53-84-80(55-70)79-54-69(67-34-30-62(6-2)31-35-67)42-52-83(79)87(84)72-22-14-9-15-23-72;1-5-60-27-31-63(32-28-60)65-39-48-75(49-40-65)87-54-56-88(3,4)55-18-53-84(70-21-12-8-13-22-70)80-26-17-16-25-76(80)77-50-47-74(59-81(77)84)85(72-43-35-64(36-44-72)62-19-10-7-11-20-62)73-45-37-67(38-46-73)69-42-52-83-79(58-69)78-57-68(66-33-29-61(6-2)30-34-66)41-51-82(78)86(83)71-23-14-9-15-24-71/h5-25,28-56,59-60H,1-2,26-27,57-58H2,3-4H3;5-17,19-52,57-59H,1-2,18,53-56H2,3-4H3 |
| InChIKey | JBJHKQZRJRSRQO-UHFFFAOYSA-N |
| XLogP | 46.13 |
| TPSA | 34.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 176 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2287.09 |
| LogP ≤ 5 | 46.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 9-[6-[4-(4-ethenylphenyl)phenoxy]-2,5-dimethylhexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-[2-[4-(4-ethenylphenyl)phenoxy]ethyl-dimethylsilyl]propyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9-[6-[4-(4-ethenylphenyl)phenoxy]-2,5-dimethylhexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-[2-[4-(4-ethenylphenyl)phenoxy]ethyl-dimethylsilyl]propyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 158867054) is 9-[6-[4-(4-ethenylphenyl)phenoxy]-2,5-dimethylhexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-[2-[4-(4-ethenylphenyl)phenoxy]ethyl-dimethylsilyl]propyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9-[6-[4-(4-ethenylphenyl)phenoxy]-2,5-dimethylhexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-[2-[4-(4-ethenylphenyl)phenoxy]ethyl-dimethylsilyl]propyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9-[6-[4-(4-ethenylphenyl)phenoxy]-2,5-dimethylhexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-[2-[4-(4-ethenylphenyl)phenoxy]ethyl-dimethylsilyl]propyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine is C=Cc1ccc(-c2ccc(OCC(C)CCC(C)CC3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc7c(c6)c6cc(-c8ccc(C=C)cc8)ccc6n7-c6ccccc6)cc5)cc43)cc2)cc1.C=Cc1ccc(-c2ccc(OCC[Si](C)(C)CCCC3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc7c(c6)c6cc(-c8ccc(C=C)cc8)ccc6n7-c6ccccc6)cc5)cc43)cc2)cc1.
What is the InChIKey of 9-[6-[4-(4-ethenylphenyl)phenoxy]-2,5-dimethylhexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-[2-[4-(4-ethenylphenyl)phenoxy]ethyl-dimethylsilyl]propyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is JBJHKQZRJRSRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H70N2O.C84H70N2OSi/c1-5-61-28-32-64(33-29-61)66-40-49-76(50-41-66)88-58-60(4)27-26-59(3)57-85(71-20-12-8-13-21-71)81-25-17-16-24-77(81)78-51-48-75(56-82(78)85)86(73-44-36-65(37-45-73)63-18-10-7-11-19-63)74-46-38-68(39-47-74)70-43-53-84-80(55-70)79-54-69(67-34-30-62(6-2)31-35-67)42-52-83(79)87(84)72-22-14-9-15-23-72;1-5-60-27-31-63(32-28-60)65-39-48-75(49-40-65)87-54-56-88(3,4)55-18-53-84(70-21-12-8-13-22-70)80-26-17-16-25-76(80)77-50-47-74(59-81(77)84)85(72-43-35-64(36-44-72)62-19-10-7-11-20-62)73-45-37-67(38-46-73)69-42-52-83-79(58-69)78-57-68(66-33-29-61(6-2)30-34-66)41-51-82(78)86(83)71-23-14-9-15-24-71/h5-25,28-56,59-60H,1-2,26-27,57-58H2,3-4H3;5-17,19-52,57-59H,1-2,18,53-56H2,3-4H3.
What are the key properties of 9-[6-[4-(4-ethenylphenyl)phenoxy]-2,5-dimethylhexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-[2-[4-(4-ethenylphenyl)phenoxy]ethyl-dimethylsilyl]propyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
9-[6-[4-(4-ethenylphenyl)phenoxy]-2,5-dimethylhexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-[2-[4-(4-ethenylphenyl)phenoxy]ethyl-dimethylsilyl]propyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 2287.09 g/mol, XLogP of 46.13, 38 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[4-(4-ethenylphenyl)phenoxy]-2,5-dimethylhexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-[2-[4-(4-ethenylphenyl)phenoxy]ethyl-dimethylsilyl]propyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 158867054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158867054 — identifiers, structure, computed properties (public domain)
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