About 3-[2-[3-[5-[2-chloro-4-[4-[5-(2-chlorophenyl)-4-dibenzofuran-3-yl-2-pyridinyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-2-methylpropyl]-6-[5-(2-chlorophenyl)-2-phenyl-4-pyridinyl]-9-phenylcarbazole
3-[2-[3-[5-[2-chloro-4-[4-[5-(2-chlorophenyl)-4-dibenzofuran-3-yl-2-pyridinyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-2-methylpropyl]-6-[5-(2-chlorophenyl)-2-phenyl-4-pyridinyl]-9-phenylcarbazole (PubChem CID 139429773) has the molecular formula C97H65Cl3N4O
and a molecular weight of 1408.97 g/mol. Its IUPAC name is 3-[2-[3-[5-[2-chloro-4-[4-[5-(2-chlorophenyl)-4-dibenzofuran-3-yl-2-pyridinyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-2-methylpropyl]-6-[5-(2-chlorophenyl)-2-phenyl-4-pyridinyl]-9-phenylcarbazole.
Molecular Properties
| Compound Name | 3-[2-[3-[5-[2-chloro-4-[4-[5-(2-chlorophenyl)-4-dibenzofuran-3-yl-2-pyridinyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-2-methylpropyl]-6-[5-(2-chlorophenyl)-2-phenyl-4-pyridinyl]-9-phenylcarbazole |
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| PubChem CID | 139429773 |
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| Molecular Formula | C97H65Cl3N4O |
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| Molecular Weight | 1408.97 g/mol |
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| Exact Mass | 1406.42 |
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| IUPAC Name | 3-[2-[3-[5-[2-chloro-4-[4-[5-(2-chlorophenyl)-4-dibenzofuran-3-yl-2-pyridinyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-2-methylpropyl]-6-[5-(2-chlorophenyl)-2-phenyl-4-pyridinyl]-9-phenylcarbazole |
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| SMILES | CC(C)(Cc1ccc2c(c1)c1cc(-c3cc(-c4ccccc4)ncc3-c3ccccc3Cl)ccc1n2-c1ccccc1)c1cccc(-c2cc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccc(-c5cc(-c6ccc7c(c6)oc6ccccc67)c(-c6ccccc6Cl)cn5)cc4)cc3Cl)cn2)c1 |
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| InChI | InChI=1S/C97H65Cl3N4O/c1-97(2,57-61-33-47-93-82(49-61)83-51-69(44-48-94(83)104(93)73-25-10-5-11-26-73)80-55-90(66-21-8-4-9-22-66)101-58-84(80)74-27-12-15-30-87(74)98)72-24-18-23-71(50-72)92-54-79(65-38-34-63(35-39-65)62-19-6-3-7-20-62)86(60-103-92)76-45-42-68(52-89(76)100)64-36-40-67(41-37-64)91-56-81(85(59-102-91)75-28-13-16-31-88(75)99)70-43-46-78-77-29-14-17-32-95(77)105-96(78)53-70/h3-56,58-60H,57H2,1-2H3 |
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| InChIKey | MBKXCAXLAKKJMP-UHFFFAOYSA-N |
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| XLogP | 27.69 |
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| TPSA | 56.74 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 | 105 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1408.97 |
| LogP ≤ 5 | 27.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze 3-[2-[3-[5-[2-chloro-4-[4-[5-(2-chlorophenyl)-4-dibenzofuran-3-yl-2-pyridinyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-2-methylpropyl]-6-[5-(2-chlorophenyl)-2-phenyl-4-pyridinyl]-9-phenylcarbazole with MolForge
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Frequently Asked Questions
What is the IUPAC name of 3-[2-[3-[5-[2-chloro-4-[4-[5-(2-chlorophenyl)-4-dibenzofuran-3-yl-2-pyridinyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-2-methylpropyl]-6-[5-(2-chlorophenyl)-2-phenyl-4-pyridinyl]-9-phenylcarbazole?
The IUPAC name of 3-[2-[3-[5-[2-chloro-4-[4-[5-(2-chlorophenyl)-4-dibenzofuran-3-yl-2-pyridinyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-2-methylpropyl]-6-[5-(2-chlorophenyl)-2-phenyl-4-pyridinyl]-9-phenylcarbazole (CID 139429773) is 3-[2-[3-[5-[2-chloro-4-[4-[5-(2-chlorophenyl)-4-dibenzofuran-3-yl-2-pyridinyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-2-methylpropyl]-6-[5-(2-chlorophenyl)-2-phenyl-4-pyridinyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2-[3-[5-[2-chloro-4-[4-[5-(2-chlorophenyl)-4-dibenzofuran-3-yl-2-pyridinyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-2-methylpropyl]-6-[5-(2-chlorophenyl)-2-phenyl-4-pyridinyl]-9-phenylcarbazole?
The canonical SMILES for 3-[2-[3-[5-[2-chloro-4-[4-[5-(2-chlorophenyl)-4-dibenzofuran-3-yl-2-pyridinyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-2-methylpropyl]-6-[5-(2-chlorophenyl)-2-phenyl-4-pyridinyl]-9-phenylcarbazole is CC(C)(Cc1ccc2c(c1)c1cc(-c3cc(-c4ccccc4)ncc3-c3ccccc3Cl)ccc1n2-c1ccccc1)c1cccc(-c2cc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccc(-c5cc(-c6ccc7c(c6)oc6ccccc67)c(-c6ccccc6Cl)cn5)cc4)cc3Cl)cn2)c1.
What is the InChIKey of 3-[2-[3-[5-[2-chloro-4-[4-[5-(2-chlorophenyl)-4-dibenzofuran-3-yl-2-pyridinyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-2-methylpropyl]-6-[5-(2-chlorophenyl)-2-phenyl-4-pyridinyl]-9-phenylcarbazole?
The InChIKey is MBKXCAXLAKKJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H65Cl3N4O/c1-97(2,57-61-33-47-93-82(49-61)83-51-69(44-48-94(83)104(93)73-25-10-5-11-26-73)80-55-90(66-21-8-4-9-22-66)101-58-84(80)74-27-12-15-30-87(74)98)72-24-18-23-71(50-72)92-54-79(65-38-34-63(35-39-65)62-19-6-3-7-20-62)86(60-103-92)76-45-42-68(52-89(76)100)64-36-40-67(41-37-64)91-56-81(85(59-102-91)75-28-13-16-31-88(75)99)70-43-46-78-77-29-14-17-32-95(77)105-96(78)53-70/h3-56,58-60H,57H2,1-2H3.
What are the key properties of 3-[2-[3-[5-[2-chloro-4-[4-[5-(2-chlorophenyl)-4-dibenzofuran-3-yl-2-pyridinyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-2-methylpropyl]-6-[5-(2-chlorophenyl)-2-phenyl-4-pyridinyl]-9-phenylcarbazole?
3-[2-[3-[5-[2-chloro-4-[4-[5-(2-chlorophenyl)-4-dibenzofuran-3-yl-2-pyridinyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-2-methylpropyl]-6-[5-(2-chlorophenyl)-2-phenyl-4-pyridinyl]-9-phenylcarbazole has a molecular weight of 1408.97 g/mol, XLogP of 27.69, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[5-[2-chloro-4-[4-[5-(2-chlorophenyl)-4-dibenzofuran-3-yl-2-pyridinyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-2-methylpropyl]-6-[5-(2-chlorophenyl)-2-phenyl-4-pyridinyl]-9-phenylcarbazole is sourced from PubChem (CID 139429773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).