3-chloro-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-amine

C38H44ClN — CID 167133361

About 3-chloro-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-amine

3-chloro-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-amine (PubChem CID 167133361) has the molecular formula C38H44ClN and a molecular weight of 550.23 g/mol. Its IUPAC name is 3-chloro-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-amine.

Molecular Properties

• Compound Name: 3-chloro-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-amine
• PubChem CID: 167133361
• Molecular Formula: C38H44ClN
• Molecular Weight: 550.23 g/mol
• Exact Mass: 549.32
• IUPAC Name: 3-chloro-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-amine
• SMILES: CC1(C)CCC(C)(C)c2cc(N(c3ccc4c(c3)C(C)(C)CCC4(C)C)c3cc(Cl)cc4ccccc34)ccc21
• InChI: InChI=1S/C38H44ClN/c1-35(2)17-19-37(5,6)32-23-27(13-15-30(32)35)40(34-22-26(39)21-25-11-9-10-12-29(25)34)28-14-16-31-33(24-28)38(7,8)20-18-36(31,3)4/h9-16,21-24H,17-20H2,1-8H3
• InChIKey: OKTKCWAYFVPWBE-UHFFFAOYSA-N
• XLogP: 11.66
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.23
LogP ≤ 5	11.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-amine?

The IUPAC name of 3-chloro-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-amine (CID 167133361) is 3-chloro-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-amine.

What is the SMILES notation for 3-chloro-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-amine?

The canonical SMILES for 3-chloro-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-amine is CC1(C)CCC(C)(C)c2cc(N(c3ccc4c(c3)C(C)(C)CCC4(C)C)c3cc(Cl)cc4ccccc34)ccc21.

What is the InChIKey of 3-chloro-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-amine?

The InChIKey is OKTKCWAYFVPWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44ClN/c1-35(2)17-19-37(5,6)32-23-27(13-15-30(32)35)40(34-22-26(39)21-25-11-9-10-12-29(25)34)28-14-16-31-33(24-28)38(7,8)20-18-36(31,3)4/h9-16,21-24H,17-20H2,1-8H3.

What are the key properties of 3-chloro-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-amine?

3-chloro-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-amine has a molecular weight of 550.23 g/mol, XLogP of 11.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-amine is sourced from PubChem (CID 167133361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).