About 2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene
2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene (PubChem CID 160799240) has the molecular formula C154H100
and a molecular weight of 1950.49 g/mol. Its IUPAC name is 2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene.
Molecular Properties
| Compound Name | 2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene |
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| PubChem CID | 160799240 |
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| Molecular Formula | C154H100 |
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| Molecular Weight | 1950.49 g/mol |
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| Exact Mass | 1948.78 |
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| IUPAC Name | 2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene |
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| SMILES | c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2Cc2ccccc2-3)c1.c1ccc(-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc(-c3cccc4c3Cc3ccccc3-4)c2)cc1.c1ccc(-c2cccc3c2Cc2c(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cccc2-3)cc1.c1ccc2c(c1)Cc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc1-2 |
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| InChI | InChI=1S/2C43H28.C37H24.C31H20/c1-2-11-28(12-3-1)32-19-9-21-38-39-22-10-20-33(43(39)27-42(32)38)31-14-8-13-29(25-31)30-23-24-40-36-17-5-4-15-34(36)35-16-6-7-18-37(35)41(40)26-30;1-2-11-28(12-3-1)31-23-32(25-33(24-31)35-19-10-20-36-34-14-5-4-13-30(34)27-42(35)36)29-21-22-41-39-17-7-6-15-37(39)38-16-8-9-18-40(38)43(41)26-29;1-2-12-28-27(9-1)23-36-29(17-8-18-30(28)36)26-11-7-10-24(21-26)25-19-20-35-33-15-4-3-13-31(33)32-14-5-6-16-34(32)37(35)22-25;1-2-9-22-20(8-1)18-30-23(14-7-15-24(22)30)21-16-17-29-27-12-4-3-10-25(27)26-11-5-6-13-28(26)31(29)19-21/h2*1-26H,27H2;1-22H,23H2;1-17,19H,18H2 |
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| InChIKey | SCVOCRWZWWFIHO-UHFFFAOYSA-N |
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| XLogP | 41.87 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 154 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1950.49 |
| LogP ≤ 5 | 41.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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Analyze 2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene?
The IUPAC name of 2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene (CID 160799240) is 2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene.
What is the SMILES notation for 2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene?
The canonical SMILES for 2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene is c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2Cc2ccccc2-3)c1.c1ccc(-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc(-c3cccc4c3Cc3ccccc3-4)c2)cc1.c1ccc(-c2cccc3c2Cc2c(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cccc2-3)cc1.c1ccc2c(c1)Cc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc1-2.
What is the InChIKey of 2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene?
The InChIKey is SCVOCRWZWWFIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C43H28.C37H24.C31H20/c1-2-11-28(12-3-1)32-19-9-21-38-39-22-10-20-33(43(39)27-42(32)38)31-14-8-13-29(25-31)30-23-24-40-36-17-5-4-15-34(36)35-16-6-7-18-37(35)41(40)26-30;1-2-11-28(12-3-1)31-23-32(25-33(24-31)35-19-10-20-36-34-14-5-4-13-30(34)27-42(35)36)29-21-22-41-39-17-7-6-15-37(39)38-16-8-9-18-40(38)43(41)26-29;1-2-12-28-27(9-1)23-36-29(17-8-18-30(28)36)26-11-7-10-24(21-26)25-19-20-35-33-15-4-3-13-31(33)32-14-5-6-16-34(32)37(35)22-25;1-2-9-22-20(8-1)18-30-23(14-7-15-24(22)30)21-16-17-29-27-12-4-3-10-25(27)26-11-5-6-13-28(26)31(29)19-21/h2*1-26H,27H2;1-22H,23H2;1-17,19H,18H2.
What are the key properties of 2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene?
2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene has a molecular weight of 1950.49 g/mol, XLogP of 41.87, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene is sourced from PubChem (CID 160799240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).