6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-4-[1-(1-methylcyclohexyl)ethyl]-2-pyridinyl]-4-[1-(1-methylcyclohexyl)ethyl]-N-phenylpyridin-2-amine

C46H49F4N3 — CID 140585044

IUPAC6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-4-[1-(1-methylcyclohexyl)ethyl]-2-pyridinyl]-4-[1-(1-methylcyclohexyl)ethyl]-N-phenylpyridin-2-amine
SMILESCC(c1cc(-c2ccc(F)cc2F)nc(N(c2ccccc2)c2cc(C(C)C3(C)CCCCC3)cc(-c3ccc(F)cc3F)n2)c1)C1(C)CCCCC1
InChIInChI=1S/C46H49F4N3/c1-30(45(3)20-10-6-11-21-45)32-24-41(37-18-16-34(47)28-39(37)49)51-43(26-32)53(36-14-8-5-9-15-36)44-27-33(31(2)46(4)22-12-7-13-23-46)25-42(52-44)38-19-17-35(48)29-40(38)50/h5,8-9,14-19,24-31H,6-7,10-13,20-23H2,1-4H3
InChIKeyORTLYNKEWCRDCL-UHFFFAOYSA-N
MW719.91 g/mol
LogP13.98
Rot. Bonds9

About 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-4-[1-(1-methylcyclohexyl)ethyl]-2-pyridinyl]-4-[1-(1-methylcyclohexyl)ethyl]-N-phenylpyridin-2-amine

6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-4-[1-(1-methylcyclohexyl)ethyl]-2-pyridinyl]-4-[1-(1-methylcyclohexyl)ethyl]-N-phenylpyridin-2-amine (PubChem CID 140585044) has the molecular formula C46H49F4N3 and a molecular weight of 719.91 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-4-[1-(1-methylcyclohexyl)ethyl]-2-pyridinyl]-4-[1-(1-methylcyclohexyl)ethyl]-N-phenylpyridin-2-amine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-4-[1-(1-methylcyclohexyl)ethyl]-2-pyridinyl]-4-[1-(1-methylcyclohexyl)ethyl]-N-phenylpyridin-2-amine
PubChem CID140585044
Molecular FormulaC46H49F4N3
Molecular Weight719.91 g/mol
Exact Mass719.39
IUPAC Name6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-4-[1-(1-methylcyclohexyl)ethyl]-2-pyridinyl]-4-[1-(1-methylcyclohexyl)ethyl]-N-phenylpyridin-2-amine
SMILESCC(c1cc(-c2ccc(F)cc2F)nc(N(c2ccccc2)c2cc(C(C)C3(C)CCCCC3)cc(-c3ccc(F)cc3F)n2)c1)C1(C)CCCCC1
InChIInChI=1S/C46H49F4N3/c1-30(45(3)20-10-6-11-21-45)32-24-41(37-18-16-34(47)28-39(37)49)51-43(26-32)53(36-14-8-5-9-15-36)44-27-33(31(2)46(4)22-12-7-13-23-46)25-42(52-44)38-19-17-35(48)29-40(38)50/h5,8-9,14-19,24-31H,6-7,10-13,20-23H2,1-4H3
InChIKeyORTLYNKEWCRDCL-UHFFFAOYSA-N
XLogP13.98
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.91
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-4-[1-(1-methylcyclohexyl)ethyl]-2-pyridinyl]-4-[1-(1-methylcyclohexyl)ethyl]-N-phenylpyridin-2-amine with MolForge

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Related Compounds

6-(2,4-difluorophenyl)-N-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-N-phenylpyridin-2-amine
CID 58661075
6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyridin-2-amine
CID 159281809
6-[[6-(2,4-difluorophenyl)-2-pyridinyl]-diphenylmethyl]-N,N-diphenylpyridin-2-amine
CID 59645919
2-(2,4-difluorophenyl)-4-[2-(1-methylcyclopentyl)propan-2-yl]pyridine
CID 140585208
1-[2-(2,4-difluorophenyl)phenyl]ethanamine
CID 22482376
4-(2,4-difluorophenyl)-2-phenylpyrimidine
CID 172796128
bis(2-(2,4-difluorophenyl)quinoline);iridium
CID 175385280
1-[1-(3-fluorophenyl)ethyl]cyclopentan-1-ol
CID 144756929
4-chloro-6-(2,4-difluorophenyl)-2-phenylpyrimidine
CID 115915006
4-(2,4-difluorophenyl)-2,6-diphenylpyridine
CID 102527083
[(2,4-difluorophenyl)-(1-methylcyclohexyl)methyl]hydrazine
CID 106831197
9,10-bis(2,4-difluorophenyl)-N,N-diphenylanthracen-2-amine
CID 58927078

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-4-[1-(1-methylcyclohexyl)ethyl]-2-pyridinyl]-4-[1-(1-methylcyclohexyl)ethyl]-N-phenylpyridin-2-amine?
The IUPAC name of 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-4-[1-(1-methylcyclohexyl)ethyl]-2-pyridinyl]-4-[1-(1-methylcyclohexyl)ethyl]-N-phenylpyridin-2-amine (CID 140585044) is 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-4-[1-(1-methylcyclohexyl)ethyl]-2-pyridinyl]-4-[1-(1-methylcyclohexyl)ethyl]-N-phenylpyridin-2-amine.
What is the SMILES notation for 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-4-[1-(1-methylcyclohexyl)ethyl]-2-pyridinyl]-4-[1-(1-methylcyclohexyl)ethyl]-N-phenylpyridin-2-amine?
The canonical SMILES for 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-4-[1-(1-methylcyclohexyl)ethyl]-2-pyridinyl]-4-[1-(1-methylcyclohexyl)ethyl]-N-phenylpyridin-2-amine is CC(c1cc(-c2ccc(F)cc2F)nc(N(c2ccccc2)c2cc(C(C)C3(C)CCCCC3)cc(-c3ccc(F)cc3F)n2)c1)C1(C)CCCCC1.
What is the InChIKey of 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-4-[1-(1-methylcyclohexyl)ethyl]-2-pyridinyl]-4-[1-(1-methylcyclohexyl)ethyl]-N-phenylpyridin-2-amine?
The InChIKey is ORTLYNKEWCRDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H49F4N3/c1-30(45(3)20-10-6-11-21-45)32-24-41(37-18-16-34(47)28-39(37)49)51-43(26-32)53(36-14-8-5-9-15-36)44-27-33(31(2)46(4)22-12-7-13-23-46)25-42(52-44)38-19-17-35(48)29-40(38)50/h5,8-9,14-19,24-31H,6-7,10-13,20-23H2,1-4H3.
What are the key properties of 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-4-[1-(1-methylcyclohexyl)ethyl]-2-pyridinyl]-4-[1-(1-methylcyclohexyl)ethyl]-N-phenylpyridin-2-amine?
6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-4-[1-(1-methylcyclohexyl)ethyl]-2-pyridinyl]-4-[1-(1-methylcyclohexyl)ethyl]-N-phenylpyridin-2-amine has a molecular weight of 719.91 g/mol, XLogP of 13.98, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-4-[1-(1-methylcyclohexyl)ethyl]-2-pyridinyl]-4-[1-(1-methylcyclohexyl)ethyl]-N-phenylpyridin-2-amine is sourced from PubChem (CID 140585044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).