ethane;6-hydroxy-4,7-dimethyl-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1,2-benzoxazole-6-carbaldehyde

C143H164N12O25 — CID 159975747

About ethane;6-hydroxy-4,7-dimethyl-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1,2-benzoxazole-6-carbaldehyde

ethane;6-hydroxy-4,7-dimethyl-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1,2-benzoxazole-6-carbaldehyde (PubChem CID 159975747) has the molecular formula C143H164N12O25 and a molecular weight of 2450.94 g/mol. Its IUPAC name is ethane;6-hydroxy-4,7-dimethyl-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1,2-benzoxazole-6-carbaldehyde.

Molecular Properties

• Compound Name: ethane;6-hydroxy-4,7-dimethyl-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1,2-benzoxazole-6-carbaldehyde
• PubChem CID: 159975747
• Molecular Formula: C143H164N12O25
• Molecular Weight: 2450.94 g/mol
• Exact Mass: 2449.19
• IUPAC Name: ethane;6-hydroxy-4,7-dimethyl-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1,2-benzoxazole-6-carbaldehyde
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC1=NOC2C(C)=C(C=O)C(O)=C(C)C12.Cc1c(C=O)c(O)c(C)c2c1C=CC2.Cc1c(C=O)c(O)c(C)c2c1[nH]c1ccccc12.Cc1c(C=O)c(O)c(C)c2c1[nH]c1ccccc12.Cc1c(C=O)c(O)c(C)c2occc12.Cc1c(O)c(C=O)c(C)c2[nH]cnc12.Cc1c(O)c(C=O)c(C)c2c[nH]cc12.Cc1c(O)c(C=O)c(C)c2cocc12.Cc1c(O)c(C=O)c2cnncc2c1C.Cc1c(O)c(C=O)c2nccnc2c1C.Cc1c(O)c(C=O)c2ncncc2c1C
• InChI: InChI=1S/2C15H13NO2.C12H12O2.3C11H10N2O2.C11H13NO3.C11H11NO2.2C11H10O3.C10H10N2O2.7C2H6/c2*1-8-11(7-17)15(18)9(2)13-10-5-3-4-6-12(10)16-14(8)13;1-7-9-4-3-5-10(9)8(2)12(14)11(7)6-13;1-6-7(2)11(15)9(4-14)10-8(6)3-12-5-13-10;1-6-7(2)11(15)10(5-14)9-4-13-12-3-8(6)9;1-6-7(2)11(15)8(5-14)10-9(6)12-3-4-13-10;1-5-8(4-13)10(14)6(2)9-7(3)12-15-11(5)9;1-6-8-3-12-4-9(8)7(2)11(14)10(6)5-13;1-6-8(3-12)11(13)7(2)10-5-14-4-9(6)10;1-6-8-3-4-14-11(8)7(2)10(13)9(6)5-12;1-5-7(3-13)10(14)6(2)9-8(5)11-4-12-9;7*1-2/h2*3-7,16,18H,1-2H3;3-4,6,14H,5H2,1-2H3;3*3-5,15H,1-2H3;4,9,11,14H,1-3H3;3-5,12,14H,1-2H3;2*3-5,13H,1-2H3;3-4,14H,1-2H3,(H,11,12);7*1-2H3
• InChIKey: OFDBSZCBUBSPQD-UHFFFAOYSA-N
• XLogP: 32.65
• TPSA: 611.56 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 33
• Rotatable Bonds: 11
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2450.94
LogP ≤ 5	32.65
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;6-hydroxy-4,7-dimethyl-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1,2-benzoxazole-6-carbaldehyde?

The IUPAC name of ethane;6-hydroxy-4,7-dimethyl-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1,2-benzoxazole-6-carbaldehyde (CID 159975747) is ethane;6-hydroxy-4,7-dimethyl-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1,2-benzoxazole-6-carbaldehyde.

What is the SMILES notation for ethane;6-hydroxy-4,7-dimethyl-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1,2-benzoxazole-6-carbaldehyde?

The canonical SMILES for ethane;6-hydroxy-4,7-dimethyl-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1,2-benzoxazole-6-carbaldehyde is CC.CC.CC.CC.CC.CC.CC.CC1=NOC2C(C)=C(C=O)C(O)=C(C)C12.Cc1c(C=O)c(O)c(C)c2c1C=CC2.Cc1c(C=O)c(O)c(C)c2c1[nH]c1ccccc12.Cc1c(C=O)c(O)c(C)c2c1[nH]c1ccccc12.Cc1c(C=O)c(O)c(C)c2occc12.Cc1c(O)c(C=O)c(C)c2[nH]cnc12.Cc1c(O)c(C=O)c(C)c2c[nH]cc12.Cc1c(O)c(C=O)c(C)c2cocc12.Cc1c(O)c(C=O)c2cnncc2c1C.Cc1c(O)c(C=O)c2nccnc2c1C.Cc1c(O)c(C=O)c2ncncc2c1C.

What is the InChIKey of ethane;6-hydroxy-4,7-dimethyl-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1,2-benzoxazole-6-carbaldehyde?

The InChIKey is OFDBSZCBUBSPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H13NO2.C12H12O2.3C11H10N2O2.C11H13NO3.C11H11NO2.2C11H10O3.C10H10N2O2.7C2H6/c2*1-8-11(7-17)15(18)9(2)13-10-5-3-4-6-12(10)16-14(8)13;1-7-9-4-3-5-10(9)8(2)12(14)11(7)6-13;1-6-7(2)11(15)9(4-14)10-8(6)3-12-5-13-10;1-6-7(2)11(15)10(5-14)9-4-13-12-3-8(6)9;1-6-7(2)11(15)8(5-14)10-9(6)12-3-4-13-10;1-5-8(4-13)10(14)6(2)9-7(3)12-15-11(5)9;1-6-8-3-12-4-9(8)7(2)11(14)10(6)5-13;1-6-8(3-12)11(13)7(2)10-5-14-4-9(6)10;1-6-8-3-4-14-11(8)7(2)10(13)9(6)5-12;1-5-7(3-13)10(14)6(2)9-8(5)11-4-12-9;7*1-2/h2*3-7,16,18H,1-2H3;3-4,6,14H,5H2,1-2H3;3*3-5,15H,1-2H3;4,9,11,14H,1-3H3;3-5,12,14H,1-2H3;2*3-5,13H,1-2H3;3-4,14H,1-2H3,(H,11,12);7*1-2H3.

What are the key properties of ethane;6-hydroxy-4,7-dimethyl-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1,2-benzoxazole-6-carbaldehyde?

ethane;6-hydroxy-4,7-dimethyl-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1,2-benzoxazole-6-carbaldehyde has a molecular weight of 2450.94 g/mol, XLogP of 32.65, 11 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;6-hydroxy-4,7-dimethyl-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1,2-benzoxazole-6-carbaldehyde is sourced from PubChem (CID 159975747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).