1,3-bis(4-ethylphenyl)adamantane;ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate;methane

C250H306N6O40 — CID 161399586

About 1,3-bis(4-ethylphenyl)adamantane;ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate;methane

1,3-bis(4-ethylphenyl)adamantane;ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate;methane (PubChem CID 161399586) has the molecular formula C250H306N6O40 and a molecular weight of 4035.20 g/mol. Its IUPAC name is 1,3-bis(4-ethylphenyl)adamantane;ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate;methane.

Molecular Properties

• Compound Name: 1,3-bis(4-ethylphenyl)adamantane;ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate;methane
• PubChem CID: 161399586
• Molecular Formula: C250H306N6O40
• Molecular Weight: 4035.20 g/mol
• Exact Mass: 4032.21
• IUPAC Name: 1,3-bis(4-ethylphenyl)adamantane;ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate;methane
• SMILES: C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN1C(=O)c2ccc(C(=O)Oc3ccc(-c4ccc(OC(=O)c5ccc6c(c5)C(=O)N(CC)C6=O)cc4)cc3)cc2C1=O.CCN1C(=O)c2ccc(C(=O)Oc3ccc(C(=O)Oc4ccc(OC(=O)c5ccc(OC(=O)c6ccc7c(c6)C(=O)N(CC)C7=O)cc5)cc4)cc3)cc2C1=O.CCN1C(=O)c2ccc(C(=O)Oc3ccc(OC(=O)c4ccc5c(c4)C(=O)N(CC)C5=O)cc3)cc2C1=O.CCc1ccc(C(=O)Oc2ccc(-c3ccc(OC(=O)c4ccc(CC)cc4)cc3)cc2)cc1.CCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CC)cc3)cc2)cc1.CCc1ccc(C23CC4CC(C2)CC(c2ccc(CC)cc2)(C4)C3)cc1.CCc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(CC)cc3)cc2)cc1
• InChI: InChI=1S/C42H28N2O12.C34H24N2O8.C30H26O4.C28H20N2O8.C26H32.2C24H22O4.18C2H6.6CH4/c1-3-43-35(45)31-19-9-25(21-33(31)37(43)47)41(51)55-27-11-5-23(6-12-27)39(49)53-29-15-17-30(18-16-29)54-40(50)24-7-13-28(14-8-24)56-42(52)26-10-20-32-34(22-26)38(48)44(4-2)36(32)46;1-3-35-29(37)25-15-9-21(17-27(25)31(35)39)33(41)43-23-11-5-19(6-12-23)20-7-13-24(14-8-20)44-34(42)22-10-16-26-28(18-22)32(40)36(4-2)30(26)38;1-3-21-5-9-25(10-6-21)29(31)33-27-17-13-23(14-18-27)24-15-19-28(20-16-24)34-30(32)26-11-7-22(4-2)8-12-26;1-3-29-23(31)19-11-5-15(13-21(19)25(29)33)27(35)37-17-7-9-18(10-8-17)38-28(36)16-6-12-20-22(14-16)26(34)30(4-2)24(20)32;1-3-19-5-9-23(10-6-19)25-14-21-13-22(15-25)17-26(16-21,18-25)24-11-7-20(4-2)8-12-24;1-3-17-5-9-19(10-6-17)23(25)28-22-15-11-20(12-16-22)24(26)27-21-13-7-18(4-2)8-14-21;1-3-17-5-9-19(10-6-17)23(25)27-21-13-15-22(16-14-21)28-24(26)20-11-7-18(4-2)8-12-20;18*1-2;;;;;;/h5-22H,3-4H2,1-2H3;5-18H,3-4H2,1-2H3;5-20H,3-4H2,1-2H3;5-14H,3-4H2,1-2H3;5-12,21-22H,3-4,13-18H2,1-2H3;2*5-16H,3-4H2,1-2H3;18*1-2H3;6*1H4
• InChIKey: VUBDDFBUBBHEAS-UHFFFAOYSA-N
• XLogP: 60.48
• TPSA: 592.48 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 46
• Heavy Atoms: 296
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4035.20
LogP ≤ 5	60.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-ethylphenyl)adamantane;ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate;methane?

The IUPAC name of 1,3-bis(4-ethylphenyl)adamantane;ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate;methane (CID 161399586) is 1,3-bis(4-ethylphenyl)adamantane;ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate;methane.

What is the SMILES notation for 1,3-bis(4-ethylphenyl)adamantane;ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate;methane?

The canonical SMILES for 1,3-bis(4-ethylphenyl)adamantane;ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate;methane is C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN1C(=O)c2ccc(C(=O)Oc3ccc(-c4ccc(OC(=O)c5ccc6c(c5)C(=O)N(CC)C6=O)cc4)cc3)cc2C1=O.CCN1C(=O)c2ccc(C(=O)Oc3ccc(C(=O)Oc4ccc(OC(=O)c5ccc(OC(=O)c6ccc7c(c6)C(=O)N(CC)C7=O)cc5)cc4)cc3)cc2C1=O.CCN1C(=O)c2ccc(C(=O)Oc3ccc(OC(=O)c4ccc5c(c4)C(=O)N(CC)C5=O)cc3)cc2C1=O.CCc1ccc(C(=O)Oc2ccc(-c3ccc(OC(=O)c4ccc(CC)cc4)cc3)cc2)cc1.CCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CC)cc3)cc2)cc1.CCc1ccc(C23CC4CC(C2)CC(c2ccc(CC)cc2)(C4)C3)cc1.CCc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(CC)cc3)cc2)cc1.

What is the InChIKey of 1,3-bis(4-ethylphenyl)adamantane;ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate;methane?

The InChIKey is VUBDDFBUBBHEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2O12.C34H24N2O8.C30H26O4.C28H20N2O8.C26H32.2C24H22O4.18C2H6.6CH4/c1-3-43-35(45)31-19-9-25(21-33(31)37(43)47)41(51)55-27-11-5-23(6-12-27)39(49)53-29-15-17-30(18-16-29)54-40(50)24-7-13-28(14-8-24)56-42(52)26-10-20-32-34(22-26)38(48)44(4-2)36(32)46;1-3-35-29(37)25-15-9-21(17-27(25)31(35)39)33(41)43-23-11-5-19(6-12-23)20-7-13-24(14-8-20)44-34(42)22-10-16-26-28(18-22)32(40)36(4-2)30(26)38;1-3-21-5-9-25(10-6-21)29(31)33-27-17-13-23(14-18-27)24-15-19-28(20-16-24)34-30(32)26-11-7-22(4-2)8-12-26;1-3-29-23(31)19-11-5-15(13-21(19)25(29)33)27(35)37-17-7-9-18(10-8-17)38-28(36)16-6-12-20-22(14-16)26(34)30(4-2)24(20)32;1-3-19-5-9-23(10-6-19)25-14-21-13-22(15-25)17-26(16-21,18-25)24-11-7-20(4-2)8-12-24;1-3-17-5-9-19(10-6-17)23(25)28-22-15-11-20(12-16-22)24(26)27-21-13-7-18(4-2)8-14-21;1-3-17-5-9-19(10-6-17)23(25)27-21-13-15-22(16-14-21)28-24(26)20-11-7-18(4-2)8-12-20;18*1-2;;;;;;/h5-22H,3-4H2,1-2H3;5-18H,3-4H2,1-2H3;5-20H,3-4H2,1-2H3;5-14H,3-4H2,1-2H3;5-12,21-22H,3-4,13-18H2,1-2H3;2*5-16H,3-4H2,1-2H3;18*1-2H3;6*1H4.

What are the key properties of 1,3-bis(4-ethylphenyl)adamantane;ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate;methane?

1,3-bis(4-ethylphenyl)adamantane;ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate;methane has a molecular weight of 4035.20 g/mol, XLogP of 60.48, 46 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis(4-ethylphenyl)adamantane;ethane;[4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;[4-[4-(4-ethylbenzoyl)oxyphenyl]phenyl] 4-ethylbenzoate;[4-[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate;[4-(4-ethylphenoxy)carbonylphenyl] 4-ethylbenzoate;methane is sourced from PubChem (CID 161399586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).