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

C39H32N2O — CID 130320560

IUPAC2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol
SMILESCC(C)(C)c1cc(-c2cccc(C3(c4ccccn4)c4ccccc4-c4ccccc43)n2)cc(-c2ccccc2O)c1
InChIInChI=1S/C39H32N2O/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/h4-25,42H,1-3H3
InChIKeyQJTGXUKRHOXSCY-UHFFFAOYSA-N
MW544.70 g/mol
LogP9.18
Rot. Bonds4

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

2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol (PubChem CID 130320560) has the molecular formula C39H32N2O and a molecular weight of 544.70 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol.

Molecular Properties

Compound Name2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol
PubChem CID130320560
Molecular FormulaC39H32N2O
Molecular Weight544.70 g/mol
Exact Mass544.25
IUPAC Name2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol
SMILESCC(C)(C)c1cc(-c2cccc(C3(c4ccccn4)c4ccccc4-c4ccccc43)n2)cc(-c2ccccc2O)c1
InChIInChI=1S/C39H32N2O/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/h4-25,42H,1-3H3
InChIKeyQJTGXUKRHOXSCY-UHFFFAOYSA-N
XLogP9.18
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.70
LogP ≤ 59.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol?
The IUPAC name of 2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol (CID 130320560) is 2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol.
What is the SMILES notation for 2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol?
The canonical SMILES for 2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol is CC(C)(C)c1cc(-c2cccc(C3(c4ccccn4)c4ccccc4-c4ccccc43)n2)cc(-c2ccccc2O)c1.
What is the InChIKey of 2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol?
The InChIKey is QJTGXUKRHOXSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32N2O/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/h4-25,42H,1-3H3.
What are the key properties of 2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol?
2-[3-tert-butyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol has a molecular weight of 544.70 g/mol, XLogP of 9.18, 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-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol is sourced from PubChem (CID 130320560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).