9,9-bis(4-methylphenyl)fluorene;1,4-dimethylcyclohexane;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,5-dimethylpyridine;2,6-dimethylpyridine;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);bis([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene
C216H221F3N2O10 — CID 158828193
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC9,9-bis(4-methylphenyl)fluorene;1,4-dimethylcyclohexane;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,5-dimethylpyridine;2,6-dimethylpyridine;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);bis([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene
SMILESCC1CCC(C)CC1.CC1CCC(C2CCC(C)CC2)CC1.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(C(=O)c2ccc(C(=O)c3cccc(C)c3)cc2)cc1.Cc1ccc(C(=O)c2ccc(C(=O)c3cccc(C)c3)cc2)cc1.Cc1ccc(C)nc1.Cc1ccc(C2(c3ccc(C)cc3)CCCCC2)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1cccc(C(=O)c2ccc(C(=O)c3cccc(C)c3)cc2)c1.Cc1cccc(C(=O)c2ccc(C(=O)c3cccc(C)c3)cc2)c1.Cc1cccc(C)n1
InChIInChI=1S/C29H28O2.C27H22.4C22H18O2.C20H24.C16H15F3.C14H26.C8H16.2C7H9N/c1-21-5-13-25(14-6-21)30-27-17-9-23(10-18-27)29(3,4)24-11-19-28(20-12-24)31-26-15-7-22(2)8-16-26;1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;2*1-15-5-3-7-19(13-15)21(23)17-9-11-18(12-10-17)22(24)20-8-4-6-16(2)14-20;2*1-15-6-8-17(9-7-15)21(23)18-10-12-19(13-11-18)22(24)20-5-3-4-16(2)14-20;1-16-6-10-18(11-7-16)20(14-4-3-5-15-20)19-12-8-17(2)9-13-19;1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6/h5-20H,1-4H3;3-18H,1-2H3;4*3-14H,1-2H3;6-13H,3-5,14-15H2,1-2H3;4-9H,1-3H3;11-14H,3-10H2,1-2H3;7-8H,3-6H2,1-2H3;2*3-5H,1-2H3
InChIKeyIWSCRZNSRXKBCX-UHFFFAOYSA-N
MW3062.14 g/mol
LogP55.66
Rot. Bonds28
About 9,9-bis(4-methylphenyl)fluorene;1,4-dimethylcyclohexane;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,5-dimethylpyridine;2,6-dimethylpyridine;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);bis([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene
9,9-bis(4-methylphenyl)fluorene;1,4-dimethylcyclohexane;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,5-dimethylpyridine;2,6-dimethylpyridine;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);bis([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene (PubChem CID 158828193) has the molecular formula C216H221F3N2O10 and a molecular weight of 3062.14 g/mol. Its IUPAC name is 9,9-bis(4-methylphenyl)fluorene;1,4-dimethylcyclohexane;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,5-dimethylpyridine;2,6-dimethylpyridine;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);bis([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene.
Molecular Properties
| Compound Name | 9,9-bis(4-methylphenyl)fluorene;1,4-dimethylcyclohexane;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,5-dimethylpyridine;2,6-dimethylpyridine;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);bis([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene |
|---|---|
| PubChem CID | 158828193 |
| Molecular Formula | C216H221F3N2O10 |
| Molecular Weight | 3062.14 g/mol |
| Exact Mass | 3059.68 |
| IUPAC Name | 9,9-bis(4-methylphenyl)fluorene;1,4-dimethylcyclohexane;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,5-dimethylpyridine;2,6-dimethylpyridine;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);bis([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene |
| SMILES | CC1CCC(C)CC1.CC1CCC(C2CCC(C)CC2)CC1.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(C(=O)c2ccc(C(=O)c3cccc(C)c3)cc2)cc1.Cc1ccc(C(=O)c2ccc(C(=O)c3cccc(C)c3)cc2)cc1.Cc1ccc(C)nc1.Cc1ccc(C2(c3ccc(C)cc3)CCCCC2)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1cccc(C(=O)c2ccc(C(=O)c3cccc(C)c3)cc2)c1.Cc1cccc(C(=O)c2ccc(C(=O)c3cccc(C)c3)cc2)c1.Cc1cccc(C)n1 |
| InChI | InChI=1S/C29H28O2.C27H22.4C22H18O2.C20H24.C16H15F3.C14H26.C8H16.2C7H9N/c1-21-5-13-25(14-6-21)30-27-17-9-23(10-18-27)29(3,4)24-11-19-28(20-12-24)31-26-15-7-22(2)8-16-26;1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;2*1-15-5-3-7-19(13-15)21(23)17-9-11-18(12-10-17)22(24)20-8-4-6-16(2)14-20;2*1-15-6-8-17(9-7-15)21(23)18-10-12-19(13-11-18)22(24)20-5-3-4-16(2)14-20;1-16-6-10-18(11-7-16)20(14-4-3-5-15-20)19-12-8-17(2)9-13-19;1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6/h5-20H,1-4H3;3-18H,1-2H3;4*3-14H,1-2H3;6-13H,3-5,14-15H2,1-2H3;4-9H,1-3H3;11-14H,3-10H2,1-2H3;7-8H,3-6H2,1-2H3;2*3-5H,1-2H3 |
| InChIKey | IWSCRZNSRXKBCX-UHFFFAOYSA-N |
| XLogP | 55.66 |
| TPSA | 180.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 231 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3062.14 |
| LogP ≤ 5 | 55.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
Frequently Asked Questions
What is the IUPAC name of 9,9-bis(4-methylphenyl)fluorene;1,4-dimethylcyclohexane;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,5-dimethylpyridine;2,6-dimethylpyridine;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);bis([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene?
The IUPAC name of 9,9-bis(4-methylphenyl)fluorene;1,4-dimethylcyclohexane;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,5-dimethylpyridine;2,6-dimethylpyridine;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);bis([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene (CID 158828193) is 9,9-bis(4-methylphenyl)fluorene;1,4-dimethylcyclohexane;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,5-dimethylpyridine;2,6-dimethylpyridine;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);bis([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene.
What is the SMILES notation for 9,9-bis(4-methylphenyl)fluorene;1,4-dimethylcyclohexane;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,5-dimethylpyridine;2,6-dimethylpyridine;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);bis([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene?
The canonical SMILES for 9,9-bis(4-methylphenyl)fluorene;1,4-dimethylcyclohexane;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,5-dimethylpyridine;2,6-dimethylpyridine;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);bis([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene is CC1CCC(C)CC1.CC1CCC(C2CCC(C)CC2)CC1.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(C(=O)c2ccc(C(=O)c3cccc(C)c3)cc2)cc1.Cc1ccc(C(=O)c2ccc(C(=O)c3cccc(C)c3)cc2)cc1.Cc1ccc(C)nc1.Cc1ccc(C2(c3ccc(C)cc3)CCCCC2)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1cccc(C(=O)c2ccc(C(=O)c3cccc(C)c3)cc2)c1.Cc1cccc(C(=O)c2ccc(C(=O)c3cccc(C)c3)cc2)c1.Cc1cccc(C)n1.
What is the InChIKey of 9,9-bis(4-methylphenyl)fluorene;1,4-dimethylcyclohexane;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,5-dimethylpyridine;2,6-dimethylpyridine;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);bis([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene?
The InChIKey is IWSCRZNSRXKBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O2.C27H22.4C22H18O2.C20H24.C16H15F3.C14H26.C8H16.2C7H9N/c1-21-5-13-25(14-6-21)30-27-17-9-23(10-18-27)29(3,4)24-11-19-28(20-12-24)31-26-15-7-22(2)8-16-26;1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;2*1-15-5-3-7-19(13-15)21(23)17-9-11-18(12-10-17)22(24)20-8-4-6-16(2)14-20;2*1-15-6-8-17(9-7-15)21(23)18-10-12-19(13-11-18)22(24)20-5-3-4-16(2)14-20;1-16-6-10-18(11-7-16)20(14-4-3-5-15-20)19-12-8-17(2)9-13-19;1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6/h5-20H,1-4H3;3-18H,1-2H3;4*3-14H,1-2H3;6-13H,3-5,14-15H2,1-2H3;4-9H,1-3H3;11-14H,3-10H2,1-2H3;7-8H,3-6H2,1-2H3;2*3-5H,1-2H3.
What are the key properties of 9,9-bis(4-methylphenyl)fluorene;1,4-dimethylcyclohexane;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,5-dimethylpyridine;2,6-dimethylpyridine;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);bis([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene?
9,9-bis(4-methylphenyl)fluorene;1,4-dimethylcyclohexane;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,5-dimethylpyridine;2,6-dimethylpyridine;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);bis([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene has a molecular weight of 3062.14 g/mol, XLogP of 55.66, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-methylphenyl)fluorene;1,4-dimethylcyclohexane;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,5-dimethylpyridine;2,6-dimethylpyridine;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);bis([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene is sourced from PubChem (CID 158828193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158828193 — identifiers, structure, computed properties (public domain)
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