bis(3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-1-[3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol);(1R)-1-[(1R)-3-cyclopentyl-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-2-methyl-3-(3-methylcyclopentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;pentakis(1-[2-hydroxy-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-2-ol);bis(propylcyclohexane)

C321H296N14O28 — CID 157081416

About bis(3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-1-[3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol);(1R)-1-[(1R)-3-cyclopentyl-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-2-methyl-3-(3-methylcyclopentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;pentakis(1-[2-hydroxy-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-2-ol);bis(propylcyclohexane)

bis(3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-1-[3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol);(1R)-1-[(1R)-3-cyclopentyl-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-2-methyl-3-(3-methylcyclopentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;pentakis(1-[2-hydroxy-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-2-ol);bis(propylcyclohexane) (PubChem CID 157081416) has the molecular formula C321H296N14O28 and a molecular weight of 4797.97 g/mol. Its IUPAC name is bis(3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-1-[3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol);(1R)-1-[(1R)-3-cyclopentyl-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-2-methyl-3-(3-methylcyclopentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;pentakis(1-[2-hydroxy-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-2-ol);bis(propylcyclohexane).

Molecular Properties

• Compound Name: bis(3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-1-[3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol);(1R)-1-[(1R)-3-cyclopentyl-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-2-methyl-3-(3-methylcyclopentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;pentakis(1-[2-hydroxy-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-2-ol);bis(propylcyclohexane)
• PubChem CID: 157081416
• Molecular Formula: C321H296N14O28
• Molecular Weight: 4797.97 g/mol
• Exact Mass: 4794.22
• IUPAC Name: bis(3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-1-[3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol);(1R)-1-[(1R)-3-cyclopentyl-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-2-methyl-3-(3-methylcyclopentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;pentakis(1-[2-hydroxy-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-2-ol);bis(propylcyclohexane)
• SMILES: CC1CCC(C2CC3CCCCC3[C@H]([C@@H]3C(C)C(C4CCCC4)CC4CCCCC43)C2C)C1.CCCC1CCCCC1.CCCC1CCCCC1.Oc1c(C2=NC(Cc3ccccc3)CO2)cc2ccccc2c1-c1c(O)c(C2=NC(Cc3ccccc3)CO2)cc2ccccc12.Oc1c(C2=NC(Cc3ccccc3)CO2)cc2ccccc2c1-c1c(O)c(C2=NC(Cc3ccccc3)CO2)cc2ccccc12.Oc1c(C2=NC(c3ccccc3)CO2)cc2ccccc2c1-c1c(O)c(C2=NC(c3ccccc3)CO2)cc2ccccc12.Oc1c(C2=NC(c3ccccc3)CO2)cc2ccccc2c1-c1c(O)c(C2=NC(c3ccccc3)CO2)cc2ccccc12.Oc1c(C2=NC(c3ccccc3)CO2)cc2ccccc2c1-c1c(O)c(C2=NC(c3ccccc3)CO2)cc2ccccc12.Oc1c(C2=NC(c3ccccc3)CO2)cc2ccccc2c1-c1c(O)c(C2=NC(c3ccccc3)CO2)cc2ccccc12.Oc1c(C2=NC(c3ccccc3)CO2)cc2ccccc2c1-c1c(O)c(C2=NC(c3ccccc3)CO2)cc2ccccc12
• InChI: InChI=1S/2C40H32N2O4.5C38H28N2O4.C33H56.2C9H18/c2*43-37-33(39-41-29(23-45-39)19-25-11-3-1-4-12-25)21-27-15-7-9-17-31(27)35(37)36-32-18-10-8-16-28(32)22-34(38(36)44)40-42-30(24-46-40)20-26-13-5-2-6-14-26;5*41-35-29(37-39-31(21-43-37)23-11-3-1-4-12-23)19-25-15-7-9-17-27(25)33(35)34-28-18-10-8-16-26(28)20-30(36(34)42)38-40-32(22-44-38)24-13-5-2-6-14-24;1-21-16-17-27(18-21)31-20-26-13-7-9-15-29(26)33(23(31)3)32-22(2)30(24-10-4-5-11-24)19-25-12-6-8-14-28(25)32;2*1-2-6-9-7-4-3-5-8-9/h2*1-18,21-22,29-30,43-44H,19-20,23-24H2;5*1-20,31-32,41-42H,21-22H2;21-33H,4-20H2,1-3H3;2*9H,2-8H2,1H3/t;;;;;;;21?,22?,23?,25?,26?,27?,28?,29?,30?,31?,32-,33-;;/m.......1../s1
• InChIKey: ADPATYLIJILEOS-NDGHBKLTSA-N
• XLogP: 72.74
• TPSA: 585.48 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 42
• Rotatable Bonds: 46
• Heavy Atoms: 363
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4797.97
LogP ≤ 5	72.74
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of bis(3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-1-[3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol);(1R)-1-[(1R)-3-cyclopentyl-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-2-methyl-3-(3-methylcyclopentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;pentakis(1-[2-hydroxy-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-2-ol);bis(propylcyclohexane)?

The IUPAC name of bis(3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-1-[3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol);(1R)-1-[(1R)-3-cyclopentyl-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-2-methyl-3-(3-methylcyclopentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;pentakis(1-[2-hydroxy-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-2-ol);bis(propylcyclohexane) (CID 157081416) is bis(3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-1-[3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol);(1R)-1-[(1R)-3-cyclopentyl-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-2-methyl-3-(3-methylcyclopentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;pentakis(1-[2-hydroxy-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-2-ol);bis(propylcyclohexane).

What is the SMILES notation for bis(3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-1-[3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol);(1R)-1-[(1R)-3-cyclopentyl-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-2-methyl-3-(3-methylcyclopentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;pentakis(1-[2-hydroxy-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-2-ol);bis(propylcyclohexane)?

The canonical SMILES for bis(3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-1-[3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol);(1R)-1-[(1R)-3-cyclopentyl-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-2-methyl-3-(3-methylcyclopentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;pentakis(1-[2-hydroxy-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-2-ol);bis(propylcyclohexane) is CC1CCC(C2CC3CCCCC3[C@H]([C@@H]3C(C)C(C4CCCC4)CC4CCCCC43)C2C)C1.CCCC1CCCCC1.CCCC1CCCCC1.Oc1c(C2=NC(Cc3ccccc3)CO2)cc2ccccc2c1-c1c(O)c(C2=NC(Cc3ccccc3)CO2)cc2ccccc12.Oc1c(C2=NC(Cc3ccccc3)CO2)cc2ccccc2c1-c1c(O)c(C2=NC(Cc3ccccc3)CO2)cc2ccccc12.Oc1c(C2=NC(c3ccccc3)CO2)cc2ccccc2c1-c1c(O)c(C2=NC(c3ccccc3)CO2)cc2ccccc12.Oc1c(C2=NC(c3ccccc3)CO2)cc2ccccc2c1-c1c(O)c(C2=NC(c3ccccc3)CO2)cc2ccccc12.Oc1c(C2=NC(c3ccccc3)CO2)cc2ccccc2c1-c1c(O)c(C2=NC(c3ccccc3)CO2)cc2ccccc12.Oc1c(C2=NC(c3ccccc3)CO2)cc2ccccc2c1-c1c(O)c(C2=NC(c3ccccc3)CO2)cc2ccccc12.Oc1c(C2=NC(c3ccccc3)CO2)cc2ccccc2c1-c1c(O)c(C2=NC(c3ccccc3)CO2)cc2ccccc12.

What is the InChIKey of bis(3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-1-[3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol);(1R)-1-[(1R)-3-cyclopentyl-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-2-methyl-3-(3-methylcyclopentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;pentakis(1-[2-hydroxy-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-2-ol);bis(propylcyclohexane)?

The InChIKey is ADPATYLIJILEOS-NDGHBKLTSA-N. The full InChI is InChI=1S/2C40H32N2O4.5C38H28N2O4.C33H56.2C9H18/c2*43-37-33(39-41-29(23-45-39)19-25-11-3-1-4-12-25)21-27-15-7-9-17-31(27)35(37)36-32-18-10-8-16-28(32)22-34(38(36)44)40-42-30(24-46-40)20-26-13-5-2-6-14-26;5*41-35-29(37-39-31(21-43-37)23-11-3-1-4-12-23)19-25-15-7-9-17-27(25)33(35)34-28-18-10-8-16-26(28)20-30(36(34)42)38-40-32(22-44-38)24-13-5-2-6-14-24;1-21-16-17-27(18-21)31-20-26-13-7-9-15-29(26)33(23(31)3)32-22(2)30(24-10-4-5-11-24)19-25-12-6-8-14-28(25)32;2*1-2-6-9-7-4-3-5-8-9/h2*1-18,21-22,29-30,43-44H,19-20,23-24H2;5*1-20,31-32,41-42H,21-22H2;21-33H,4-20H2,1-3H3;2*9H,2-8H2,1H3/t;;;;;;;21?,22?,23?,25?,26?,27?,28?,29?,30?,31?,32-,33-;;/m.......1../s1.

What are the key properties of bis(3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-1-[3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol);(1R)-1-[(1R)-3-cyclopentyl-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-2-methyl-3-(3-methylcyclopentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;pentakis(1-[2-hydroxy-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-2-ol);bis(propylcyclohexane)?

bis(3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-1-[3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol);(1R)-1-[(1R)-3-cyclopentyl-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-2-methyl-3-(3-methylcyclopentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;pentakis(1-[2-hydroxy-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-2-ol);bis(propylcyclohexane) has a molecular weight of 4797.97 g/mol, XLogP of 72.74, 46 rotatable bonds, 14 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-1-[3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol);(1R)-1-[(1R)-3-cyclopentyl-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-2-methyl-3-(3-methylcyclopentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;pentakis(1-[2-hydroxy-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-2-ol);bis(propylcyclohexane) is sourced from PubChem (CID 157081416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).