N-(4-tert-butylphenyl)-N-(2'-fluorospiro[7a,11a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-5-yl)-5-methylpyridin-2-amine

C47H37FN2O — CID 142310180

About N-(4-tert-butylphenyl)-N-(2'-fluorospiro[7a,11a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-5-yl)-5-methylpyridin-2-amine

N-(4-tert-butylphenyl)-N-(2'-fluorospiro[7a,11a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-5-yl)-5-methylpyridin-2-amine (PubChem CID 142310180) has the molecular formula C47H37FN2O and a molecular weight of 664.82 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-(2'-fluorospiro[7a,11a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-5-yl)-5-methylpyridin-2-amine.

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-N-(2'-fluorospiro[7a,11a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-5-yl)-5-methylpyridin-2-amine
• PubChem CID: 142310180
• Molecular Formula: C47H37FN2O
• Molecular Weight: 664.82 g/mol
• Exact Mass: 664.29
• IUPAC Name: N-(4-tert-butylphenyl)-N-(2'-fluorospiro[7a,11a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-5-yl)-5-methylpyridin-2-amine
• SMILES: Cc1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4oc5ccccc5c24)C2C=CC=CC2C32c3ccccc3-c3ccc(F)cc32)nc1
• InChI: InChI=1S/C47H37FN2O/c1-28-17-24-42(49-27-28)50(31-21-18-29(19-22-31)46(2,3)4)40-26-39-43(45-44(40)35-13-7-10-16-41(35)51-45)34-12-6-9-15-37(34)47(39)36-14-8-5-11-32(36)33-23-20-30(48)25-38(33)47/h5-27,34,37H,1-4H3
• InChIKey: GZNJMLFYEARJDX-UHFFFAOYSA-N
• XLogP: 12.35
• TPSA: 29.27 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.82
LogP ≤ 5	12.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-(2'-fluorospiro[7a,11a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-5-yl)-5-methylpyridin-2-amine?

The IUPAC name of N-(4-tert-butylphenyl)-N-(2'-fluorospiro[7a,11a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-5-yl)-5-methylpyridin-2-amine (CID 142310180) is N-(4-tert-butylphenyl)-N-(2'-fluorospiro[7a,11a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-5-yl)-5-methylpyridin-2-amine.

What is the SMILES notation for N-(4-tert-butylphenyl)-N-(2'-fluorospiro[7a,11a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-5-yl)-5-methylpyridin-2-amine?

The canonical SMILES for N-(4-tert-butylphenyl)-N-(2'-fluorospiro[7a,11a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-5-yl)-5-methylpyridin-2-amine is Cc1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4oc5ccccc5c24)C2C=CC=CC2C32c3ccccc3-c3ccc(F)cc32)nc1.

What is the InChIKey of N-(4-tert-butylphenyl)-N-(2'-fluorospiro[7a,11a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-5-yl)-5-methylpyridin-2-amine?

The InChIKey is GZNJMLFYEARJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H37FN2O/c1-28-17-24-42(49-27-28)50(31-21-18-29(19-22-31)46(2,3)4)40-26-39-43(45-44(40)35-13-7-10-16-41(35)51-45)34-12-6-9-15-37(34)47(39)36-14-8-5-11-32(36)33-23-20-30(48)25-38(33)47/h5-27,34,37H,1-4H3.

What are the key properties of N-(4-tert-butylphenyl)-N-(2'-fluorospiro[7a,11a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-5-yl)-5-methylpyridin-2-amine?

N-(4-tert-butylphenyl)-N-(2'-fluorospiro[7a,11a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-5-yl)-5-methylpyridin-2-amine has a molecular weight of 664.82 g/mol, XLogP of 12.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-N-(2'-fluorospiro[7a,11a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-5-yl)-5-methylpyridin-2-amine is sourced from PubChem (CID 142310180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).