About N-[4-(4-fluorophenyl)phenyl]-3-(9-methylfluoren-9-yl)-N-[4-[9-[7-[4-[4-[N-[4-(9-methylfluoren-9-yl)phenyl]-4-(9-pyridin-2-ylcarbazol-3-yl)anilino]phenyl]phenyl]naphthalen-2-yl]carbazol-3-yl]phenyl]aniline
N-[4-(4-fluorophenyl)phenyl]-3-(9-methylfluoren-9-yl)-N-[4-[9-[7-[4-[4-[N-[4-(9-methylfluoren-9-yl)phenyl]-4-(9-pyridin-2-ylcarbazol-3-yl)anilino]phenyl]phenyl]naphthalen-2-yl]carbazol-3-yl]phenyl]aniline (PubChem CID 163714578) has the molecular formula C115H78FN5
and a molecular weight of 1548.92 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)phenyl]-3-(9-methylfluoren-9-yl)-N-[4-[9-[7-[4-[4-[N-[4-(9-methylfluoren-9-yl)phenyl]-4-(9-pyridin-2-ylcarbazol-3-yl)anilino]phenyl]phenyl]naphthalen-2-yl]carbazol-3-yl]phenyl]aniline.
Molecular Properties
| Compound Name | N-[4-(4-fluorophenyl)phenyl]-3-(9-methylfluoren-9-yl)-N-[4-[9-[7-[4-[4-[N-[4-(9-methylfluoren-9-yl)phenyl]-4-(9-pyridin-2-ylcarbazol-3-yl)anilino]phenyl]phenyl]naphthalen-2-yl]carbazol-3-yl]phenyl]aniline |
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| PubChem CID | 163714578 |
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| Molecular Formula | C115H78FN5 |
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| Molecular Weight | 1548.92 g/mol |
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| Exact Mass | 1547.62 |
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| IUPAC Name | N-[4-(4-fluorophenyl)phenyl]-3-(9-methylfluoren-9-yl)-N-[4-[9-[7-[4-[4-[N-[4-(9-methylfluoren-9-yl)phenyl]-4-(9-pyridin-2-ylcarbazol-3-yl)anilino]phenyl]phenyl]naphthalen-2-yl]carbazol-3-yl]phenyl]aniline |
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| SMILES | CC1(c2ccc(N(c3ccc(-c4ccc(-c5ccc6ccc(-n7c8ccccc8c8cc(-c9ccc(N(c%10ccc(-c%11ccc(F)cc%11)cc%10)c%10cccc(C%11(C)c%12ccccc%12-c%12ccccc%12%11)c%10)cc9)ccc87)cc6c5)cc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccn4)cc3)cc2)c2ccccc2-c2ccccc21 |
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| InChI | InChI=1S/C115H78FN5/c1-114(105-26-9-3-20-97(105)98-21-4-10-27-106(98)114)87-52-65-94(66-53-87)118(91-60-45-80(46-61-91)85-51-68-112-104(73-85)102-25-8-14-31-110(102)121(112)113-32-15-16-69-117-113)90-56-41-77(42-57-90)75-33-35-79(36-34-75)83-38-37-82-49-64-96(71-86(82)70-83)120-109-30-13-7-24-101(109)103-72-84(50-67-111(103)120)81-47-62-93(63-48-81)119(92-58-43-78(44-59-92)76-39-54-89(116)55-40-76)95-19-17-18-88(74-95)115(2)107-28-11-5-22-99(107)100-23-6-12-29-108(100)115/h3-74H,1-2H3 |
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| InChIKey | KMFSBTKQFVSHHE-UHFFFAOYSA-N |
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| XLogP | 30.51 |
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| TPSA | 29.23 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 15 |
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| Heavy Atoms | 121 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1548.92 |
| LogP ≤ 5 | 30.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze N-[4-(4-fluorophenyl)phenyl]-3-(9-methylfluoren-9-yl)-N-[4-[9-[7-[4-[4-[N-[4-(9-methylfluoren-9-yl)phenyl]-4-(9-pyridin-2-ylcarbazol-3-yl)anilino]phenyl]phenyl]naphthalen-2-yl]carbazol-3-yl]phenyl]aniline with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[4-(4-fluorophenyl)phenyl]-3-(9-methylfluoren-9-yl)-N-[4-[9-[7-[4-[4-[N-[4-(9-methylfluoren-9-yl)phenyl]-4-(9-pyridin-2-ylcarbazol-3-yl)anilino]phenyl]phenyl]naphthalen-2-yl]carbazol-3-yl]phenyl]aniline?
The IUPAC name of N-[4-(4-fluorophenyl)phenyl]-3-(9-methylfluoren-9-yl)-N-[4-[9-[7-[4-[4-[N-[4-(9-methylfluoren-9-yl)phenyl]-4-(9-pyridin-2-ylcarbazol-3-yl)anilino]phenyl]phenyl]naphthalen-2-yl]carbazol-3-yl]phenyl]aniline (CID 163714578) is N-[4-(4-fluorophenyl)phenyl]-3-(9-methylfluoren-9-yl)-N-[4-[9-[7-[4-[4-[N-[4-(9-methylfluoren-9-yl)phenyl]-4-(9-pyridin-2-ylcarbazol-3-yl)anilino]phenyl]phenyl]naphthalen-2-yl]carbazol-3-yl]phenyl]aniline.
What is the SMILES notation for N-[4-(4-fluorophenyl)phenyl]-3-(9-methylfluoren-9-yl)-N-[4-[9-[7-[4-[4-[N-[4-(9-methylfluoren-9-yl)phenyl]-4-(9-pyridin-2-ylcarbazol-3-yl)anilino]phenyl]phenyl]naphthalen-2-yl]carbazol-3-yl]phenyl]aniline?
The canonical SMILES for N-[4-(4-fluorophenyl)phenyl]-3-(9-methylfluoren-9-yl)-N-[4-[9-[7-[4-[4-[N-[4-(9-methylfluoren-9-yl)phenyl]-4-(9-pyridin-2-ylcarbazol-3-yl)anilino]phenyl]phenyl]naphthalen-2-yl]carbazol-3-yl]phenyl]aniline is CC1(c2ccc(N(c3ccc(-c4ccc(-c5ccc6ccc(-n7c8ccccc8c8cc(-c9ccc(N(c%10ccc(-c%11ccc(F)cc%11)cc%10)c%10cccc(C%11(C)c%12ccccc%12-c%12ccccc%12%11)c%10)cc9)ccc87)cc6c5)cc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccn4)cc3)cc2)c2ccccc2-c2ccccc21.
What is the InChIKey of N-[4-(4-fluorophenyl)phenyl]-3-(9-methylfluoren-9-yl)-N-[4-[9-[7-[4-[4-[N-[4-(9-methylfluoren-9-yl)phenyl]-4-(9-pyridin-2-ylcarbazol-3-yl)anilino]phenyl]phenyl]naphthalen-2-yl]carbazol-3-yl]phenyl]aniline?
The InChIKey is KMFSBTKQFVSHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C115H78FN5/c1-114(105-26-9-3-20-97(105)98-21-4-10-27-106(98)114)87-52-65-94(66-53-87)118(91-60-45-80(46-61-91)85-51-68-112-104(73-85)102-25-8-14-31-110(102)121(112)113-32-15-16-69-117-113)90-56-41-77(42-57-90)75-33-35-79(36-34-75)83-38-37-82-49-64-96(71-86(82)70-83)120-109-30-13-7-24-101(109)103-72-84(50-67-111(103)120)81-47-62-93(63-48-81)119(92-58-43-78(44-59-92)76-39-54-89(116)55-40-76)95-19-17-18-88(74-95)115(2)107-28-11-5-22-99(107)100-23-6-12-29-108(100)115/h3-74H,1-2H3.
What are the key properties of N-[4-(4-fluorophenyl)phenyl]-3-(9-methylfluoren-9-yl)-N-[4-[9-[7-[4-[4-[N-[4-(9-methylfluoren-9-yl)phenyl]-4-(9-pyridin-2-ylcarbazol-3-yl)anilino]phenyl]phenyl]naphthalen-2-yl]carbazol-3-yl]phenyl]aniline?
N-[4-(4-fluorophenyl)phenyl]-3-(9-methylfluoren-9-yl)-N-[4-[9-[7-[4-[4-[N-[4-(9-methylfluoren-9-yl)phenyl]-4-(9-pyridin-2-ylcarbazol-3-yl)anilino]phenyl]phenyl]naphthalen-2-yl]carbazol-3-yl]phenyl]aniline has a molecular weight of 1548.92 g/mol, XLogP of 30.51, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)phenyl]-3-(9-methylfluoren-9-yl)-N-[4-[9-[7-[4-[4-[N-[4-(9-methylfluoren-9-yl)phenyl]-4-(9-pyridin-2-ylcarbazol-3-yl)anilino]phenyl]phenyl]naphthalen-2-yl]carbazol-3-yl]phenyl]aniline is sourced from PubChem (CID 163714578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).