N-[(R)-[6-(1H-indol-2-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline

C35H39N3 — CID 102236465

About N-[(R)-[6-(1H-indol-2-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline

N-[(R)-[6-(1H-indol-2-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline (PubChem CID 102236465) has the molecular formula C35H39N3 and a molecular weight of 501.72 g/mol. Its IUPAC name is N-[(R)-[6-(1H-indol-2-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

• Compound Name: N-[(R)-[6-(1H-indol-2-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline
• PubChem CID: 102236465
• Molecular Formula: C35H39N3
• Molecular Weight: 501.72 g/mol
• Exact Mass: 501.31
• IUPAC Name: N-[(R)-[6-(1H-indol-2-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline
• SMILES: CC(C)c1ccccc1[C@@H](Nc1c(C(C)C)cccc1C(C)C)c1cccc(-c2cc3ccccc3[nH]2)n1
• InChI: InChI=1S/C35H39N3/c1-22(2)26-14-8-9-15-29(26)35(38-34-27(23(3)4)16-11-17-28(34)24(5)6)32-20-12-19-31(37-32)33-21-25-13-7-10-18-30(25)36-33/h7-24,35-36,38H,1-6H3/t35-/m1/s1
• InChIKey: BOHIBIKGLGSHQZ-PGUFJCEWSA-N
• XLogP: 9.80
• TPSA: 40.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.72
LogP ≤ 5	9.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[6-(1H-indol-2-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline?

The IUPAC name of N-[(R)-[6-(1H-indol-2-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline (CID 102236465) is N-[(R)-[6-(1H-indol-2-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline.

What is the SMILES notation for N-[(R)-[6-(1H-indol-2-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline?

The canonical SMILES for N-[(R)-[6-(1H-indol-2-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline is CC(C)c1ccccc1[C@@H](Nc1c(C(C)C)cccc1C(C)C)c1cccc(-c2cc3ccccc3[nH]2)n1.

What is the InChIKey of N-[(R)-[6-(1H-indol-2-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline?

The InChIKey is BOHIBIKGLGSHQZ-PGUFJCEWSA-N. The full InChI is InChI=1S/C35H39N3/c1-22(2)26-14-8-9-15-29(26)35(38-34-27(23(3)4)16-11-17-28(34)24(5)6)32-20-12-19-31(37-32)33-21-25-13-7-10-18-30(25)36-33/h7-24,35-36,38H,1-6H3/t35-/m1/s1.

What are the key properties of N-[(R)-[6-(1H-indol-2-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline?

N-[(R)-[6-(1H-indol-2-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 501.72 g/mol, XLogP of 9.80, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(R)-[6-(1H-indol-2-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 102236465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).