N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine

C51H37F2N5 — CID 122659685

IUPACN-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine
SMILESCn1c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2F)ccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)cc1F
InChIInChI=1S/C51H37F2N5/c1-56-50(46-26-24-42(32-48(46)52)57(44-14-8-30-54-34-44)40-20-16-38(17-21-40)36-10-4-2-5-11-36)28-29-51(56)47-27-25-43(33-49(47)53)58(45-15-9-31-55-35-45)41-22-18-39(19-23-41)37-12-6-3-7-13-37/h2-35H,1H3
InChIKeyOSVAOGNVBNPEFI-UHFFFAOYSA-N
MW757.89 g/mol
LogP13.70
Rot. Bonds10

About N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine

N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine (PubChem CID 122659685) has the molecular formula C51H37F2N5 and a molecular weight of 757.89 g/mol. Its IUPAC name is N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine.

Molecular Properties

Compound NameN-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine
PubChem CID122659685
Molecular FormulaC51H37F2N5
Molecular Weight757.89 g/mol
Exact Mass757.30
IUPAC NameN-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine
SMILESCn1c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2F)ccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)cc1F
InChIInChI=1S/C51H37F2N5/c1-56-50(46-26-24-42(32-48(46)52)57(44-14-8-30-54-34-44)40-20-16-38(17-21-40)36-10-4-2-5-11-36)28-29-51(56)47-27-25-43(33-49(47)53)58(45-15-9-31-55-35-45)41-22-18-39(19-23-41)37-12-6-3-7-13-37/h2-35H,1H3
InChIKeyOSVAOGNVBNPEFI-UHFFFAOYSA-N
XLogP13.70
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.89
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine?
The IUPAC name of N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine (CID 122659685) is N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine.
What is the SMILES notation for N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine?
The canonical SMILES for N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine is Cn1c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2F)ccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)cc1F.
What is the InChIKey of N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine?
The InChIKey is OSVAOGNVBNPEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37F2N5/c1-56-50(46-26-24-42(32-48(46)52)57(44-14-8-30-54-34-44)40-20-16-38(17-21-40)36-10-4-2-5-11-36)28-29-51(56)47-27-25-43(33-49(47)53)58(45-15-9-31-55-35-45)41-22-18-39(19-23-41)37-12-6-3-7-13-37/h2-35H,1H3.
What are the key properties of N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine?
N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine has a molecular weight of 757.89 g/mol, XLogP of 13.70, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine is sourced from PubChem (CID 122659685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).