2-[6-[2,7-difluoro-9-(6-phenylnaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxy-6-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]benzonitrile

C61H41F2NO3 — CID 122646618

IUPAC2-[6-[2,7-difluoro-9-(6-phenylnaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxy-6-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]benzonitrile
SMILESCC(C)(c1ccc(O)cc1)c1ccc(Oc2cccc(Oc3ccc4cc(C5(c6ccc7cc(-c8ccccc8)ccc7c6)c6cc(F)ccc6-c6ccc(F)cc65)ccc4c3)c2C#N)cc1
InChIInChI=1S/C61H41F2NO3/c1-60(2,44-18-24-50(65)25-19-44)45-20-27-51(28-21-45)66-58-9-6-10-59(55(58)37-64)67-52-26-15-42-33-47(17-14-43(42)34-52)61(56-35-48(62)22-29-53(56)54-30-23-49(63)36-57(54)61)46-16-13-40-31-39(11-12-41(40)32-46)38-7-4-3-5-8-38/h3-36,65H,1-2H3
InChIKeyQXYFNOIBFONXOO-UHFFFAOYSA-N
MW874.00 g/mol
LogP15.79
Rot. Bonds9

About 2-[6-[2,7-difluoro-9-(6-phenylnaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxy-6-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]benzonitrile

2-[6-[2,7-difluoro-9-(6-phenylnaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxy-6-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]benzonitrile (PubChem CID 122646618) has the molecular formula C61H41F2NO3 and a molecular weight of 874.00 g/mol. Its IUPAC name is 2-[6-[2,7-difluoro-9-(6-phenylnaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxy-6-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]benzonitrile.

Molecular Properties

Compound Name2-[6-[2,7-difluoro-9-(6-phenylnaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxy-6-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]benzonitrile
PubChem CID122646618
Molecular FormulaC61H41F2NO3
Molecular Weight874.00 g/mol
Exact Mass873.31
IUPAC Name2-[6-[2,7-difluoro-9-(6-phenylnaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxy-6-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]benzonitrile
SMILESCC(C)(c1ccc(O)cc1)c1ccc(Oc2cccc(Oc3ccc4cc(C5(c6ccc7cc(-c8ccccc8)ccc7c6)c6cc(F)ccc6-c6ccc(F)cc65)ccc4c3)c2C#N)cc1
InChIInChI=1S/C61H41F2NO3/c1-60(2,44-18-24-50(65)25-19-44)45-20-27-51(28-21-45)66-58-9-6-10-59(55(58)37-64)67-52-26-15-42-33-47(17-14-43(42)34-52)61(56-35-48(62)22-29-53(56)54-30-23-49(63)36-57(54)61)46-16-13-40-31-39(11-12-41(40)32-46)38-7-4-3-5-8-38/h3-36,65H,1-2H3
InChIKeyQXYFNOIBFONXOO-UHFFFAOYSA-N
XLogP15.79
TPSA62.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.00
LogP ≤ 515.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2,7-difluoro-9-(6-phenylnaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxy-6-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]benzonitrile?
The IUPAC name of 2-[6-[2,7-difluoro-9-(6-phenylnaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxy-6-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]benzonitrile (CID 122646618) is 2-[6-[2,7-difluoro-9-(6-phenylnaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxy-6-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]benzonitrile.
What is the SMILES notation for 2-[6-[2,7-difluoro-9-(6-phenylnaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxy-6-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]benzonitrile?
The canonical SMILES for 2-[6-[2,7-difluoro-9-(6-phenylnaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxy-6-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]benzonitrile is CC(C)(c1ccc(O)cc1)c1ccc(Oc2cccc(Oc3ccc4cc(C5(c6ccc7cc(-c8ccccc8)ccc7c6)c6cc(F)ccc6-c6ccc(F)cc65)ccc4c3)c2C#N)cc1.
What is the InChIKey of 2-[6-[2,7-difluoro-9-(6-phenylnaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxy-6-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]benzonitrile?
The InChIKey is QXYFNOIBFONXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41F2NO3/c1-60(2,44-18-24-50(65)25-19-44)45-20-27-51(28-21-45)66-58-9-6-10-59(55(58)37-64)67-52-26-15-42-33-47(17-14-43(42)34-52)61(56-35-48(62)22-29-53(56)54-30-23-49(63)36-57(54)61)46-16-13-40-31-39(11-12-41(40)32-46)38-7-4-3-5-8-38/h3-36,65H,1-2H3.
What are the key properties of 2-[6-[2,7-difluoro-9-(6-phenylnaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxy-6-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]benzonitrile?
2-[6-[2,7-difluoro-9-(6-phenylnaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxy-6-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]benzonitrile has a molecular weight of 874.00 g/mol, XLogP of 15.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2,7-difluoro-9-(6-phenylnaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxy-6-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]benzonitrile is sourced from PubChem (CID 122646618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).