6-tert-butyl-5-(4-chloro-2-methoxyphenyl)-1H-indole;6-tert-butyl-5-(2,6-dimethoxyphenyl)-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-(4-propan-2-ylphenyl)-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole

C95H105ClN6O3 — CID 158528373

About 6-tert-butyl-5-(4-chloro-2-methoxyphenyl)-1H-indole;6-tert-butyl-5-(2,6-dimethoxyphenyl)-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-(4-propan-2-ylphenyl)-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole

6-tert-butyl-5-(4-chloro-2-methoxyphenyl)-1H-indole;6-tert-butyl-5-(2,6-dimethoxyphenyl)-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-(4-propan-2-ylphenyl)-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole (PubChem CID 158528373) has the molecular formula C95H105ClN6O3 and a molecular weight of 1414.38 g/mol. Its IUPAC name is 6-tert-butyl-5-(4-chloro-2-methoxyphenyl)-1H-indole;6-tert-butyl-5-(2,6-dimethoxyphenyl)-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-(4-propan-2-ylphenyl)-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole.

Molecular Properties

• Compound Name: 6-tert-butyl-5-(4-chloro-2-methoxyphenyl)-1H-indole;6-tert-butyl-5-(2,6-dimethoxyphenyl)-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-(4-propan-2-ylphenyl)-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole
• PubChem CID: 158528373
• Molecular Formula: C95H105ClN6O3
• Molecular Weight: 1414.38 g/mol
• Exact Mass: 1412.79
• IUPAC Name: 6-tert-butyl-5-(4-chloro-2-methoxyphenyl)-1H-indole;6-tert-butyl-5-(2,6-dimethoxyphenyl)-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-(4-propan-2-ylphenyl)-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole
• SMILES: CC(C)(C)c1cc2[nH]ccc2cc1-c1ccccc1.CC(C)(C)c1cc2[nH]ccc2cc1-c1cccnc1.CC(C)c1ccc(-c2cc3cc[nH]c3cc2C(C)(C)C)cc1.COc1cc(Cl)ccc1-c1cc2cc[nH]c2cc1C(C)(C)C.COc1cccc(OC)c1-c1cc2cc[nH]c2cc1C(C)(C)C
• InChI: InChI=1S/C21H25N.C20H23NO2.C19H20ClNO.C18H19N.C17H18N2/c1-14(2)15-6-8-16(9-7-15)18-12-17-10-11-22-20(17)13-19(18)21(3,4)5;1-20(2,3)15-12-16-13(9-10-21-16)11-14(15)19-17(22-4)7-6-8-18(19)23-5;1-19(2,3)16-11-17-12(7-8-21-17)9-15(16)14-6-5-13(20)10-18(14)22-4;1-18(2,3)16-12-17-14(9-10-19-17)11-15(16)13-7-5-4-6-8-13;1-17(2,3)15-10-16-12(6-8-19-16)9-14(15)13-5-4-7-18-11-13/h6-14,22H,1-5H3;6-12,21H,1-5H3;5-11,21H,1-4H3;4-12,19H,1-3H3;4-11,19H,1-3H3
• InChIKey: HNBGUGGOMXJDQC-UHFFFAOYSA-N
• XLogP: 26.86
• TPSA: 119.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1414.38
LogP ≤ 5	26.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-(4-chloro-2-methoxyphenyl)-1H-indole;6-tert-butyl-5-(2,6-dimethoxyphenyl)-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-(4-propan-2-ylphenyl)-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole?

The IUPAC name of 6-tert-butyl-5-(4-chloro-2-methoxyphenyl)-1H-indole;6-tert-butyl-5-(2,6-dimethoxyphenyl)-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-(4-propan-2-ylphenyl)-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole (CID 158528373) is 6-tert-butyl-5-(4-chloro-2-methoxyphenyl)-1H-indole;6-tert-butyl-5-(2,6-dimethoxyphenyl)-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-(4-propan-2-ylphenyl)-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole.

What is the SMILES notation for 6-tert-butyl-5-(4-chloro-2-methoxyphenyl)-1H-indole;6-tert-butyl-5-(2,6-dimethoxyphenyl)-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-(4-propan-2-ylphenyl)-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole?

The canonical SMILES for 6-tert-butyl-5-(4-chloro-2-methoxyphenyl)-1H-indole;6-tert-butyl-5-(2,6-dimethoxyphenyl)-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-(4-propan-2-ylphenyl)-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole is CC(C)(C)c1cc2[nH]ccc2cc1-c1ccccc1.CC(C)(C)c1cc2[nH]ccc2cc1-c1cccnc1.CC(C)c1ccc(-c2cc3cc[nH]c3cc2C(C)(C)C)cc1.COc1cc(Cl)ccc1-c1cc2cc[nH]c2cc1C(C)(C)C.COc1cccc(OC)c1-c1cc2cc[nH]c2cc1C(C)(C)C.

What is the InChIKey of 6-tert-butyl-5-(4-chloro-2-methoxyphenyl)-1H-indole;6-tert-butyl-5-(2,6-dimethoxyphenyl)-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-(4-propan-2-ylphenyl)-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole?

The InChIKey is HNBGUGGOMXJDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N.C20H23NO2.C19H20ClNO.C18H19N.C17H18N2/c1-14(2)15-6-8-16(9-7-15)18-12-17-10-11-22-20(17)13-19(18)21(3,4)5;1-20(2,3)15-12-16-13(9-10-21-16)11-14(15)19-17(22-4)7-6-8-18(19)23-5;1-19(2,3)16-11-17-12(7-8-21-17)9-15(16)14-6-5-13(20)10-18(14)22-4;1-18(2,3)16-12-17-14(9-10-19-17)11-15(16)13-7-5-4-6-8-13;1-17(2,3)15-10-16-12(6-8-19-16)9-14(15)13-5-4-7-18-11-13/h6-14,22H,1-5H3;6-12,21H,1-5H3;5-11,21H,1-4H3;4-12,19H,1-3H3;4-11,19H,1-3H3.

What are the key properties of 6-tert-butyl-5-(4-chloro-2-methoxyphenyl)-1H-indole;6-tert-butyl-5-(2,6-dimethoxyphenyl)-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-(4-propan-2-ylphenyl)-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole?

6-tert-butyl-5-(4-chloro-2-methoxyphenyl)-1H-indole;6-tert-butyl-5-(2,6-dimethoxyphenyl)-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-(4-propan-2-ylphenyl)-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole has a molecular weight of 1414.38 g/mol, XLogP of 26.86, 9 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-5-(4-chloro-2-methoxyphenyl)-1H-indole;6-tert-butyl-5-(2,6-dimethoxyphenyl)-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-(4-propan-2-ylphenyl)-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole is sourced from PubChem (CID 158528373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).