2-[3-tert-butyl-5-[6-(9-pyridin-2-yl-3,4-dihydrofluoren-9-yl)-2-pyridinyl]phenyl]phenol

C39H34N2O — CID 130320577

About 2-[3-tert-butyl-5-[6-(9-pyridin-2-yl-3,4-dihydrofluoren-9-yl)-2-pyridinyl]phenyl]phenol

2-[3-tert-butyl-5-[6-(9-pyridin-2-yl-3,4-dihydrofluoren-9-yl)-2-pyridinyl]phenyl]phenol (PubChem CID 130320577) has the molecular formula C39H34N2O and a molecular weight of 546.71 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[6-(9-pyridin-2-yl-3,4-dihydrofluoren-9-yl)-2-pyridinyl]phenyl]phenol.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[6-(9-pyridin-2-yl-3,4-dihydrofluoren-9-yl)-2-pyridinyl]phenyl]phenol
• PubChem CID: 130320577
• Molecular Formula: C39H34N2O
• Molecular Weight: 546.71 g/mol
• Exact Mass: 546.27
• IUPAC Name: 2-[3-tert-butyl-5-[6-(9-pyridin-2-yl-3,4-dihydrofluoren-9-yl)-2-pyridinyl]phenyl]phenol
• SMILES: CC(C)(C)c1cc(-c2cccc(C3(c4ccccn4)C4=C(CCC=C4)c4ccccc43)n2)cc(-c2ccccc2O)c1
• InChI: InChI=1S/C39H34N2O/c1-38(2,3)28-24-26(29-13-6-9-19-35(29)42)23-27(25-28)34-18-12-21-37(41-34)39(36-20-10-11-22-40-36)32-16-7-4-14-30(32)31-15-5-8-17-33(31)39/h4,6-14,16-25,42H,5,15H2,1-3H3
• InChIKey: WXESMWCCBGNKRY-UHFFFAOYSA-N
• XLogP: 9.27
• TPSA: 46.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.71
LogP ≤ 5	9.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-[6-(9-pyridin-2-yl-3,4-dihydrofluoren-9-yl)-2-pyridinyl]phenyl]phenol?

The IUPAC name of 2-[3-tert-butyl-5-[6-(9-pyridin-2-yl-3,4-dihydrofluoren-9-yl)-2-pyridinyl]phenyl]phenol (CID 130320577) is 2-[3-tert-butyl-5-[6-(9-pyridin-2-yl-3,4-dihydrofluoren-9-yl)-2-pyridinyl]phenyl]phenol.

What is the SMILES notation for 2-[3-tert-butyl-5-[6-(9-pyridin-2-yl-3,4-dihydrofluoren-9-yl)-2-pyridinyl]phenyl]phenol?

The canonical SMILES for 2-[3-tert-butyl-5-[6-(9-pyridin-2-yl-3,4-dihydrofluoren-9-yl)-2-pyridinyl]phenyl]phenol is CC(C)(C)c1cc(-c2cccc(C3(c4ccccn4)C4=C(CCC=C4)c4ccccc43)n2)cc(-c2ccccc2O)c1.

What is the InChIKey of 2-[3-tert-butyl-5-[6-(9-pyridin-2-yl-3,4-dihydrofluoren-9-yl)-2-pyridinyl]phenyl]phenol?

The InChIKey is WXESMWCCBGNKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N2O/c1-38(2,3)28-24-26(29-13-6-9-19-35(29)42)23-27(25-28)34-18-12-21-37(41-34)39(36-20-10-11-22-40-36)32-16-7-4-14-30(32)31-15-5-8-17-33(31)39/h4,6-14,16-25,42H,5,15H2,1-3H3.

What are the key properties of 2-[3-tert-butyl-5-[6-(9-pyridin-2-yl-3,4-dihydrofluoren-9-yl)-2-pyridinyl]phenyl]phenol?

2-[3-tert-butyl-5-[6-(9-pyridin-2-yl-3,4-dihydrofluoren-9-yl)-2-pyridinyl]phenyl]phenol has a molecular weight of 546.71 g/mol, XLogP of 9.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[6-(9-pyridin-2-yl-3,4-dihydrofluoren-9-yl)-2-pyridinyl]phenyl]phenol is sourced from PubChem (CID 130320577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).