N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine

C52H32FN3O2 — CID 164939226

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine
SMILESFc1ccc2cc(-c3ccc4cc(N(c5ccc(-c6ccc(-c7nc8ccccc8o7)cc6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc4c3)ccc2c1
InChIInChI=1S/C52H32FN3O2/c53-43-23-17-39-29-37(13-15-41(39)31-43)38-14-16-42-32-46(28-22-40(42)30-38)56(45-26-20-36(21-27-45)52-55-48-6-2-4-8-50(48)58-52)44-24-18-34(19-25-44)33-9-11-35(12-10-33)51-54-47-5-1-3-7-49(47)57-51/h1-32H
InChIKeyOSNDTFZFQLYPLK-UHFFFAOYSA-N
MW749.85 g/mol
LogP14.55
Rot. Bonds7

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine

N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine (PubChem CID 164939226) has the molecular formula C52H32FN3O2 and a molecular weight of 749.85 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine
PubChem CID164939226
Molecular FormulaC52H32FN3O2
Molecular Weight749.85 g/mol
Exact Mass749.25
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine
SMILESFc1ccc2cc(-c3ccc4cc(N(c5ccc(-c6ccc(-c7nc8ccccc8o7)cc6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc4c3)ccc2c1
InChIInChI=1S/C52H32FN3O2/c53-43-23-17-39-29-37(13-15-41(39)31-43)38-14-16-42-32-46(28-22-40(42)30-38)56(45-26-20-36(21-27-45)52-55-48-6-2-4-8-50(48)58-52)44-24-18-34(19-25-44)33-9-11-35(12-10-33)51-54-47-5-1-3-7-49(47)57-51/h1-32H
InChIKeyOSNDTFZFQLYPLK-UHFFFAOYSA-N
XLogP14.55
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.85
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine (CID 164939226) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine is Fc1ccc2cc(-c3ccc4cc(N(c5ccc(-c6ccc(-c7nc8ccccc8o7)cc6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc4c3)ccc2c1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine?
The InChIKey is OSNDTFZFQLYPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32FN3O2/c53-43-23-17-39-29-37(13-15-41(39)31-43)38-14-16-42-32-46(28-22-40(42)30-38)56(45-26-20-36(21-27-45)52-55-48-6-2-4-8-50(48)58-52)44-24-18-34(19-25-44)33-9-11-35(12-10-33)51-54-47-5-1-3-7-49(47)57-51/h1-32H.
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine has a molecular weight of 749.85 g/mol, XLogP of 14.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine is sourced from PubChem (CID 164939226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).