3-fluoro-N-[3-fluoro-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline

C48H35F2N3 — CID 140898206

IUPAC3-fluoro-N-[3-fluoro-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline
SMILESCc1cnc(-c2cc(F)cc(N(c3cc(F)cc(-c4cc(-c5ccccc5)c(C)cn4)c3)c3ccccc3-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C48H35F2N3/c1-32-30-51-46(28-44(32)35-16-8-4-9-17-35)37-22-39(49)26-41(24-37)53(48-21-13-12-20-43(48)34-14-6-3-7-15-34)42-25-38(23-40(50)27-42)47-29-45(33(2)31-52-47)36-18-10-5-11-19-36/h3-31H,1-2H3
InChIKeyHUKOSNNHJQEMDY-UHFFFAOYSA-N
MW691.83 g/mol
LogP13.18
Rot. Bonds8

About 3-fluoro-N-[3-fluoro-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline

3-fluoro-N-[3-fluoro-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline (PubChem CID 140898206) has the molecular formula C48H35F2N3 and a molecular weight of 691.83 g/mol. Its IUPAC name is 3-fluoro-N-[3-fluoro-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline.

Molecular Properties

Compound Name3-fluoro-N-[3-fluoro-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline
PubChem CID140898206
Molecular FormulaC48H35F2N3
Molecular Weight691.83 g/mol
Exact Mass691.28
IUPAC Name3-fluoro-N-[3-fluoro-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline
SMILESCc1cnc(-c2cc(F)cc(N(c3cc(F)cc(-c4cc(-c5ccccc5)c(C)cn4)c3)c3ccccc3-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C48H35F2N3/c1-32-30-51-46(28-44(32)35-16-8-4-9-17-35)37-22-39(49)26-41(24-37)53(48-21-13-12-20-43(48)34-14-6-3-7-15-34)42-25-38(23-40(50)27-42)47-29-45(33(2)31-52-47)36-18-10-5-11-19-36/h3-31H,1-2H3
InChIKeyHUKOSNNHJQEMDY-UHFFFAOYSA-N
XLogP13.18
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.83
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-fluoro-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline?
The IUPAC name of 3-fluoro-N-[3-fluoro-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline (CID 140898206) is 3-fluoro-N-[3-fluoro-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline.
What is the SMILES notation for 3-fluoro-N-[3-fluoro-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline?
The canonical SMILES for 3-fluoro-N-[3-fluoro-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline is Cc1cnc(-c2cc(F)cc(N(c3cc(F)cc(-c4cc(-c5ccccc5)c(C)cn4)c3)c3ccccc3-c3ccccc3)c2)cc1-c1ccccc1.
What is the InChIKey of 3-fluoro-N-[3-fluoro-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline?
The InChIKey is HUKOSNNHJQEMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35F2N3/c1-32-30-51-46(28-44(32)35-16-8-4-9-17-35)37-22-39(49)26-41(24-37)53(48-21-13-12-20-43(48)34-14-6-3-7-15-34)42-25-38(23-40(50)27-42)47-29-45(33(2)31-52-47)36-18-10-5-11-19-36/h3-31H,1-2H3.
What are the key properties of 3-fluoro-N-[3-fluoro-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline?
3-fluoro-N-[3-fluoro-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline has a molecular weight of 691.83 g/mol, XLogP of 13.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-fluoro-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline is sourced from PubChem (CID 140898206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).