1,3-bis(4-propan-2-ylphenyl)benzene;1,4-bis(4-propan-2-ylphenyl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-2-(4-propan-2-ylphenoxy)pyridine;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1,2,4,5-tetrafluoro-3,6-di(propan-2-yl)benzene
C210H272F4N2O2S2 — CID 158729742
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1,3-bis(4-propan-2-ylphenyl)benzene;1,4-bis(4-propan-2-ylphenyl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-2-(4-propan-2-ylphenoxy)pyridine;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1,2,4,5-tetrafluoro-3,6-di(propan-2-yl)benzene
SMILESCC(C)Oc1ccc(C(C)C)cc1.CC(C)c1c(F)c(F)c(C(C)C)c(F)c1F.CC(C)c1ccc(-c2ccc(-c3ccc(C(C)C)cc3)cc2)cc1.CC(C)c1ccc(-c2ccc(C(C)C)cc2)cc1.CC(C)c1ccc(-c2cccc(-c3ccc(C(C)C)cc3)c2)cc1.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccc(Oc2ccc(C(C)C)cn2)cc1.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc2c(C(C)C)cccc12.CC(C)c1csc(C(C)C)c1
InChIInChI=1S/2C24H26.C18H22.C17H21NO.3C16H20.C12H14F4.C12H18O.2C12H18.C11H17N.2C10H16S/c1-17(2)19-5-9-21(10-6-19)23-13-15-24(16-14-23)22-11-7-20(8-12-22)18(3)4;1-17(2)19-8-12-21(13-9-19)23-6-5-7-24(16-23)22-14-10-20(11-15-22)18(3)4;1-13(2)15-5-9-17(10-6-15)18-11-7-16(8-12-18)14(3)4;1-12(2)14-5-8-16(9-6-14)19-17-10-7-15(11-18-17)13(3)4;1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-11(2)13-7-5-10-16-14(12(3)4)8-6-9-15(13)16;1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16;1-5(2)7-9(13)11(15)8(6(3)4)12(16)10(7)14;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4/h2*5-18H,1-4H3;5-14H,1-4H3;5-13H,1-4H3;3*5-12H,1-4H3;5-6H,1-4H3;5-10H,1-4H3;2*5-10H,1-4H3;5-9H,1-4H3;2*5-8H,1-4H3
InChIKeyIKYFTMVDGNIHGQ-UHFFFAOYSA-N
MW2996.62 g/mol
LogP67.79
Rot. Bonds36
About 1,3-bis(4-propan-2-ylphenyl)benzene;1,4-bis(4-propan-2-ylphenyl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-2-(4-propan-2-ylphenoxy)pyridine;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1,2,4,5-tetrafluoro-3,6-di(propan-2-yl)benzene
1,3-bis(4-propan-2-ylphenyl)benzene;1,4-bis(4-propan-2-ylphenyl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-2-(4-propan-2-ylphenoxy)pyridine;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1,2,4,5-tetrafluoro-3,6-di(propan-2-yl)benzene (PubChem CID 158729742) has the molecular formula C210H272F4N2O2S2 and a molecular weight of 2996.62 g/mol. Its IUPAC name is 1,3-bis(4-propan-2-ylphenyl)benzene;1,4-bis(4-propan-2-ylphenyl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-2-(4-propan-2-ylphenoxy)pyridine;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1,2,4,5-tetrafluoro-3,6-di(propan-2-yl)benzene.
Molecular Properties
| Compound Name | 1,3-bis(4-propan-2-ylphenyl)benzene;1,4-bis(4-propan-2-ylphenyl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-2-(4-propan-2-ylphenoxy)pyridine;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1,2,4,5-tetrafluoro-3,6-di(propan-2-yl)benzene |
|---|---|
| PubChem CID | 158729742 |
| Molecular Formula | C210H272F4N2O2S2 |
| Molecular Weight | 2996.62 g/mol |
| Exact Mass | 2994.06 |
| IUPAC Name | 1,3-bis(4-propan-2-ylphenyl)benzene;1,4-bis(4-propan-2-ylphenyl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-2-(4-propan-2-ylphenoxy)pyridine;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1,2,4,5-tetrafluoro-3,6-di(propan-2-yl)benzene |
| SMILES | CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1c(F)c(F)c(C(C)C)c(F)c1F.CC(C)c1ccc(-c2ccc(-c3ccc(C(C)C)cc3)cc2)cc1.CC(C)c1ccc(-c2ccc(C(C)C)cc2)cc1.CC(C)c1ccc(-c2cccc(-c3ccc(C(C)C)cc3)c2)cc1.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccc(Oc2ccc(C(C)C)cn2)cc1.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc2c(C(C)C)cccc12.CC(C)c1csc(C(C)C)c1 |
| InChI | InChI=1S/2C24H26.C18H22.C17H21NO.3C16H20.C12H14F4.C12H18O.2C12H18.C11H17N.2C10H16S/c1-17(2)19-5-9-21(10-6-19)23-13-15-24(16-14-23)22-11-7-20(8-12-22)18(3)4;1-17(2)19-8-12-21(13-9-19)23-6-5-7-24(16-23)22-14-10-20(11-15-22)18(3)4;1-13(2)15-5-9-17(10-6-15)18-11-7-16(8-12-18)14(3)4;1-12(2)14-5-8-16(9-6-14)19-17-10-7-15(11-18-17)13(3)4;1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-11(2)13-7-5-10-16-14(12(3)4)8-6-9-15(13)16;1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16;1-5(2)7-9(13)11(15)8(6(3)4)12(16)10(7)14;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4/h2*5-18H,1-4H3;5-14H,1-4H3;5-13H,1-4H3;3*5-12H,1-4H3;5-6H,1-4H3;5-10H,1-4H3;2*5-10H,1-4H3;5-9H,1-4H3;2*5-8H,1-4H3 |
| InChIKey | IKYFTMVDGNIHGQ-UHFFFAOYSA-N |
| XLogP | 67.79 |
| TPSA | 44.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 220 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2996.62 |
| LogP ≤ 5 | 67.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 1,3-bis(4-propan-2-ylphenyl)benzene;1,4-bis(4-propan-2-ylphenyl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-2-(4-propan-2-ylphenoxy)pyridine;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1,2,4,5-tetrafluoro-3,6-di(propan-2-yl)benzene?
The IUPAC name of 1,3-bis(4-propan-2-ylphenyl)benzene;1,4-bis(4-propan-2-ylphenyl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-2-(4-propan-2-ylphenoxy)pyridine;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1,2,4,5-tetrafluoro-3,6-di(propan-2-yl)benzene (CID 158729742) is 1,3-bis(4-propan-2-ylphenyl)benzene;1,4-bis(4-propan-2-ylphenyl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-2-(4-propan-2-ylphenoxy)pyridine;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1,2,4,5-tetrafluoro-3,6-di(propan-2-yl)benzene.
What is the SMILES notation for 1,3-bis(4-propan-2-ylphenyl)benzene;1,4-bis(4-propan-2-ylphenyl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-2-(4-propan-2-ylphenoxy)pyridine;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1,2,4,5-tetrafluoro-3,6-di(propan-2-yl)benzene?
The canonical SMILES for 1,3-bis(4-propan-2-ylphenyl)benzene;1,4-bis(4-propan-2-ylphenyl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-2-(4-propan-2-ylphenoxy)pyridine;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1,2,4,5-tetrafluoro-3,6-di(propan-2-yl)benzene is CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1c(F)c(F)c(C(C)C)c(F)c1F.CC(C)c1ccc(-c2ccc(-c3ccc(C(C)C)cc3)cc2)cc1.CC(C)c1ccc(-c2ccc(C(C)C)cc2)cc1.CC(C)c1ccc(-c2cccc(-c3ccc(C(C)C)cc3)c2)cc1.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccc(Oc2ccc(C(C)C)cn2)cc1.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc2c(C(C)C)cccc12.CC(C)c1csc(C(C)C)c1.
What is the InChIKey of 1,3-bis(4-propan-2-ylphenyl)benzene;1,4-bis(4-propan-2-ylphenyl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-2-(4-propan-2-ylphenoxy)pyridine;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1,2,4,5-tetrafluoro-3,6-di(propan-2-yl)benzene?
The InChIKey is IKYFTMVDGNIHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H26.C18H22.C17H21NO.3C16H20.C12H14F4.C12H18O.2C12H18.C11H17N.2C10H16S/c1-17(2)19-5-9-21(10-6-19)23-13-15-24(16-14-23)22-11-7-20(8-12-22)18(3)4;1-17(2)19-8-12-21(13-9-19)23-6-5-7-24(16-23)22-14-10-20(11-15-22)18(3)4;1-13(2)15-5-9-17(10-6-15)18-11-7-16(8-12-18)14(3)4;1-12(2)14-5-8-16(9-6-14)19-17-10-7-15(11-18-17)13(3)4;1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-11(2)13-7-5-10-16-14(12(3)4)8-6-9-15(13)16;1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16;1-5(2)7-9(13)11(15)8(6(3)4)12(16)10(7)14;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4/h2*5-18H,1-4H3;5-14H,1-4H3;5-13H,1-4H3;3*5-12H,1-4H3;5-6H,1-4H3;5-10H,1-4H3;2*5-10H,1-4H3;5-9H,1-4H3;2*5-8H,1-4H3.
What are the key properties of 1,3-bis(4-propan-2-ylphenyl)benzene;1,4-bis(4-propan-2-ylphenyl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-2-(4-propan-2-ylphenoxy)pyridine;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1,2,4,5-tetrafluoro-3,6-di(propan-2-yl)benzene?
1,3-bis(4-propan-2-ylphenyl)benzene;1,4-bis(4-propan-2-ylphenyl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-2-(4-propan-2-ylphenoxy)pyridine;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1,2,4,5-tetrafluoro-3,6-di(propan-2-yl)benzene has a molecular weight of 2996.62 g/mol, XLogP of 67.79, 36 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-propan-2-ylphenyl)benzene;1,4-bis(4-propan-2-ylphenyl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-2-(4-propan-2-ylphenoxy)pyridine;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1,2,4,5-tetrafluoro-3,6-di(propan-2-yl)benzene is sourced from PubChem (CID 158729742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158729742 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.