N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine

C58H42F3N5 — CID 122659664

IUPACN-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine
SMILESCc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)ccc1-c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2C(F)(F)F)n1-c1ccccc1
InChIInChI=1S/C58H42F3N5/c1-41-37-49(64(51-19-11-35-62-39-51)47-25-21-44(22-26-47)42-13-5-2-6-14-42)29-31-53(41)56-33-34-57(66(56)46-17-9-4-10-18-46)54-32-30-50(38-55(54)58(59,60)61)65(52-20-12-36-63-40-52)48-27-23-45(24-28-48)43-15-7-3-8-16-43/h2-40H,1H3
InChIKeyJIOZNFAEWPEMNZ-UHFFFAOYSA-N
MW866.00 g/mol
LogP16.20
Rot. Bonds11

About N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine

N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine (PubChem CID 122659664) has the molecular formula C58H42F3N5 and a molecular weight of 866.00 g/mol. Its IUPAC name is N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine.

Molecular Properties

Compound NameN-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine
PubChem CID122659664
Molecular FormulaC58H42F3N5
Molecular Weight866.00 g/mol
Exact Mass865.34
IUPAC NameN-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine
SMILESCc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)ccc1-c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2C(F)(F)F)n1-c1ccccc1
InChIInChI=1S/C58H42F3N5/c1-41-37-49(64(51-19-11-35-62-39-51)47-25-21-44(22-26-47)42-13-5-2-6-14-42)29-31-53(41)56-33-34-57(66(56)46-17-9-4-10-18-46)54-32-30-50(38-55(54)58(59,60)61)65(52-20-12-36-63-40-52)48-27-23-45(24-28-48)43-15-7-3-8-16-43/h2-40H,1H3
InChIKeyJIOZNFAEWPEMNZ-UHFFFAOYSA-N
XLogP16.20
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.00
LogP ≤ 516.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine?
The IUPAC name of N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine (CID 122659664) is N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine.
What is the SMILES notation for N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine?
The canonical SMILES for N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine is Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)ccc1-c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2C(F)(F)F)n1-c1ccccc1.
What is the InChIKey of N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine?
The InChIKey is JIOZNFAEWPEMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42F3N5/c1-41-37-49(64(51-19-11-35-62-39-51)47-25-21-44(22-26-47)42-13-5-2-6-14-42)29-31-53(41)56-33-34-57(66(56)46-17-9-4-10-18-46)54-32-30-50(38-55(54)58(59,60)61)65(52-20-12-36-63-40-52)48-27-23-45(24-28-48)43-15-7-3-8-16-43/h2-40H,1H3.
What are the key properties of N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine?
N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine has a molecular weight of 866.00 g/mol, XLogP of 16.20, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine is sourced from PubChem (CID 122659664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).