9-cyclohexa-1,3-dien-1-yl-9-phenyl-3-[3-(2-propylphenyl)phenyl]-1,2-dihydrofluorene;9-methyl-6-(4-methylphenyl)-2,9-dihydro-1H-fluorene;4,9,9-trimethylfluorene
C77H72 — CID 156827380
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC9-cyclohexa-1,3-dien-1-yl-9-phenyl-3-[3-(2-propylphenyl)phenyl]-1,2-dihydrofluorene;9-methyl-6-(4-methylphenyl)-2,9-dihydro-1H-fluorene;4,9,9-trimethylfluorene
SMILESCCCc1ccccc1-c1cccc(C2=CC3=C(CC2)C(C2=CC=CCC2)(c2ccccc2)c2ccccc23)c1.Cc1ccc(-c2ccc3c(c2)C2=C(CCC=C2)C3C)cc1.Cc1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C40H36.C21H20.C16H16/c1-2-14-29-15-9-10-22-35(29)32-17-13-16-30(27-32)31-25-26-39-37(28-31)36-23-11-12-24-38(36)40(39,33-18-5-3-6-19-33)34-20-7-4-8-21-34;1-14-7-9-16(10-8-14)17-11-12-19-15(2)18-5-3-4-6-20(18)21(19)13-17;1-11-7-6-10-14-15(11)12-8-4-5-9-13(12)16(14,2)3/h3-7,9-13,15-20,22-24,27-28H,2,8,14,21,25-26H2,1H3;4,6-13,15H,3,5H2,1-2H3;4-10H,1-3H3
InChIKeyGSBCSPACBPOXLS-UHFFFAOYSA-N
MW997.42 g/mol
LogP20.70
Rot. Bonds7
About 9-cyclohexa-1,3-dien-1-yl-9-phenyl-3-[3-(2-propylphenyl)phenyl]-1,2-dihydrofluorene;9-methyl-6-(4-methylphenyl)-2,9-dihydro-1H-fluorene;4,9,9-trimethylfluorene
9-cyclohexa-1,3-dien-1-yl-9-phenyl-3-[3-(2-propylphenyl)phenyl]-1,2-dihydrofluorene;9-methyl-6-(4-methylphenyl)-2,9-dihydro-1H-fluorene;4,9,9-trimethylfluorene (PubChem CID 156827380) has the molecular formula C77H72 and a molecular weight of 997.42 g/mol. Its IUPAC name is 9-cyclohexa-1,3-dien-1-yl-9-phenyl-3-[3-(2-propylphenyl)phenyl]-1,2-dihydrofluorene;9-methyl-6-(4-methylphenyl)-2,9-dihydro-1H-fluorene;4,9,9-trimethylfluorene.
Molecular Properties
| Compound Name | 9-cyclohexa-1,3-dien-1-yl-9-phenyl-3-[3-(2-propylphenyl)phenyl]-1,2-dihydrofluorene;9-methyl-6-(4-methylphenyl)-2,9-dihydro-1H-fluorene;4,9,9-trimethylfluorene |
|---|---|
| PubChem CID | 156827380 |
| Molecular Formula | C77H72 |
| Molecular Weight | 997.42 g/mol |
| Exact Mass | 996.56 |
| IUPAC Name | 9-cyclohexa-1,3-dien-1-yl-9-phenyl-3-[3-(2-propylphenyl)phenyl]-1,2-dihydrofluorene;9-methyl-6-(4-methylphenyl)-2,9-dihydro-1H-fluorene;4,9,9-trimethylfluorene |
| SMILES | CCCc1ccccc1-c1cccc(C2=CC3=C(CC2)C(C2=CC=CCC2)(c2ccccc2)c2ccccc23)c1.Cc1ccc(-c2ccc3c(c2)C2=C(CCC=C2)C3C)cc1.Cc1cccc2c1-c1ccccc1C2(C)C |
| InChI | InChI=1S/C40H36.C21H20.C16H16/c1-2-14-29-15-9-10-22-35(29)32-17-13-16-30(27-32)31-25-26-39-37(28-31)36-23-11-12-24-38(36)40(39,33-18-5-3-6-19-33)34-20-7-4-8-21-34;1-14-7-9-16(10-8-14)17-11-12-19-15(2)18-5-3-4-6-20(18)21(19)13-17;1-11-7-6-10-14-15(11)12-8-4-5-9-13(12)16(14,2)3/h3-7,9-13,15-20,22-24,27-28H,2,8,14,21,25-26H2,1H3;4,6-13,15H,3,5H2,1-2H3;4-10H,1-3H3 |
| InChIKey | GSBCSPACBPOXLS-UHFFFAOYSA-N |
| XLogP | 20.70 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 7 |
| Heavy Atoms | 77 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 997.42 |
| LogP ≤ 5 | 20.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Frequently Asked Questions
What is the IUPAC name of 9-cyclohexa-1,3-dien-1-yl-9-phenyl-3-[3-(2-propylphenyl)phenyl]-1,2-dihydrofluorene;9-methyl-6-(4-methylphenyl)-2,9-dihydro-1H-fluorene;4,9,9-trimethylfluorene?
The IUPAC name of 9-cyclohexa-1,3-dien-1-yl-9-phenyl-3-[3-(2-propylphenyl)phenyl]-1,2-dihydrofluorene;9-methyl-6-(4-methylphenyl)-2,9-dihydro-1H-fluorene;4,9,9-trimethylfluorene (CID 156827380) is 9-cyclohexa-1,3-dien-1-yl-9-phenyl-3-[3-(2-propylphenyl)phenyl]-1,2-dihydrofluorene;9-methyl-6-(4-methylphenyl)-2,9-dihydro-1H-fluorene;4,9,9-trimethylfluorene.
What is the SMILES notation for 9-cyclohexa-1,3-dien-1-yl-9-phenyl-3-[3-(2-propylphenyl)phenyl]-1,2-dihydrofluorene;9-methyl-6-(4-methylphenyl)-2,9-dihydro-1H-fluorene;4,9,9-trimethylfluorene?
The canonical SMILES for 9-cyclohexa-1,3-dien-1-yl-9-phenyl-3-[3-(2-propylphenyl)phenyl]-1,2-dihydrofluorene;9-methyl-6-(4-methylphenyl)-2,9-dihydro-1H-fluorene;4,9,9-trimethylfluorene is CCCc1ccccc1-c1cccc(C2=CC3=C(CC2)C(C2=CC=CCC2)(c2ccccc2)c2ccccc23)c1.Cc1ccc(-c2ccc3c(c2)C2=C(CCC=C2)C3C)cc1.Cc1cccc2c1-c1ccccc1C2(C)C.
What is the InChIKey of 9-cyclohexa-1,3-dien-1-yl-9-phenyl-3-[3-(2-propylphenyl)phenyl]-1,2-dihydrofluorene;9-methyl-6-(4-methylphenyl)-2,9-dihydro-1H-fluorene;4,9,9-trimethylfluorene?
The InChIKey is GSBCSPACBPOXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36.C21H20.C16H16/c1-2-14-29-15-9-10-22-35(29)32-17-13-16-30(27-32)31-25-26-39-37(28-31)36-23-11-12-24-38(36)40(39,33-18-5-3-6-19-33)34-20-7-4-8-21-34;1-14-7-9-16(10-8-14)17-11-12-19-15(2)18-5-3-4-6-20(18)21(19)13-17;1-11-7-6-10-14-15(11)12-8-4-5-9-13(12)16(14,2)3/h3-7,9-13,15-20,22-24,27-28H,2,8,14,21,25-26H2,1H3;4,6-13,15H,3,5H2,1-2H3;4-10H,1-3H3.
What are the key properties of 9-cyclohexa-1,3-dien-1-yl-9-phenyl-3-[3-(2-propylphenyl)phenyl]-1,2-dihydrofluorene;9-methyl-6-(4-methylphenyl)-2,9-dihydro-1H-fluorene;4,9,9-trimethylfluorene?
9-cyclohexa-1,3-dien-1-yl-9-phenyl-3-[3-(2-propylphenyl)phenyl]-1,2-dihydrofluorene;9-methyl-6-(4-methylphenyl)-2,9-dihydro-1H-fluorene;4,9,9-trimethylfluorene has a molecular weight of 997.42 g/mol, XLogP of 20.70, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-1,3-dien-1-yl-9-phenyl-3-[3-(2-propylphenyl)phenyl]-1,2-dihydrofluorene;9-methyl-6-(4-methylphenyl)-2,9-dihydro-1H-fluorene;4,9,9-trimethylfluorene is sourced from PubChem (CID 156827380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 156827380 — identifiers, structure, computed properties (public domain)
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