2-[3,5-ditert-butyl-6-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol

C51H56N2O — CID 161415824

About 2-[3,5-ditert-butyl-6-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol

2-[3,5-ditert-butyl-6-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol (PubChem CID 161415824) has the molecular formula C51H56N2O and a molecular weight of 713.02 g/mol. Its IUPAC name is 2-[3,5-ditert-butyl-6-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol.

Molecular Properties

• Compound Name: 2-[3,5-ditert-butyl-6-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol
• PubChem CID: 161415824
• Molecular Formula: C51H56N2O
• Molecular Weight: 713.02 g/mol
• Exact Mass: 712.44
• IUPAC Name: 2-[3,5-ditert-butyl-6-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol
• SMILES: CC(C)(C)c1ccc2c(c1)C(c1cccc(-c3nc(-c4ccccc4O)c(C(C)(C)C)cc3C(C)(C)C)c1)(c1ccccn1)c1cc(C(C)(C)C)ccc1-2
• InChI: InChI=1S/C51H56N2O/c1-47(2,3)33-23-25-36-37-26-24-34(48(4,5)6)30-40(37)51(39(36)29-33,44-22-15-16-27-52-44)35-19-17-18-32(28-35)45-41(49(7,8)9)31-42(50(10,11)12)46(53-45)38-20-13-14-21-43(38)54/h13-31,54H,1-12H3
• InChIKey: RRKGXYXBWVAUBB-UHFFFAOYSA-N
• XLogP: 13.07
• TPSA: 46.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.02
LogP ≤ 5	13.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-ditert-butyl-6-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol?

The IUPAC name of 2-[3,5-ditert-butyl-6-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol (CID 161415824) is 2-[3,5-ditert-butyl-6-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol.

What is the SMILES notation for 2-[3,5-ditert-butyl-6-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol?

The canonical SMILES for 2-[3,5-ditert-butyl-6-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol is CC(C)(C)c1ccc2c(c1)C(c1cccc(-c3nc(-c4ccccc4O)c(C(C)(C)C)cc3C(C)(C)C)c1)(c1ccccn1)c1cc(C(C)(C)C)ccc1-2.

What is the InChIKey of 2-[3,5-ditert-butyl-6-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol?

The InChIKey is RRKGXYXBWVAUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H56N2O/c1-47(2,3)33-23-25-36-37-26-24-34(48(4,5)6)30-40(37)51(39(36)29-33,44-22-15-16-27-52-44)35-19-17-18-32(28-35)45-41(49(7,8)9)31-42(50(10,11)12)46(53-45)38-20-13-14-21-43(38)54/h13-31,54H,1-12H3.

What are the key properties of 2-[3,5-ditert-butyl-6-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol?

2-[3,5-ditert-butyl-6-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol has a molecular weight of 713.02 g/mol, XLogP of 13.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-ditert-butyl-6-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol is sourced from PubChem (CID 161415824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).