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

C58H39F6N5 — CID 122660800

IUPACN-(4-phenylphenyl)-N-[4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESFC(F)(F)c1cc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)ccc1-c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2C(F)(F)F)n1-c1ccccc1
InChIInChI=1S/C58H39F6N5/c59-57(60,61)53-36-47(67(49-18-10-34-65-38-49)45-24-20-42(21-25-45)40-12-4-1-5-13-40)28-30-51(53)55-32-33-56(69(55)44-16-8-3-9-17-44)52-31-29-48(37-54(52)58(62,63)64)68(50-19-11-35-66-39-50)46-26-22-43(23-27-46)41-14-6-2-7-15-41/h1-39H
InChIKeyMTFVNYVDXMSGQQ-UHFFFAOYSA-N
MW919.97 g/mol
LogP16.91
Rot. Bonds11

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

N-(4-phenylphenyl)-N-[4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]pyridin-3-amine (PubChem CID 122660800) has the molecular formula C58H39F6N5 and a molecular weight of 919.97 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]pyridin-3-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]pyridin-3-amine
PubChem CID122660800
Molecular FormulaC58H39F6N5
Molecular Weight919.97 g/mol
Exact Mass919.31
IUPAC NameN-(4-phenylphenyl)-N-[4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESFC(F)(F)c1cc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)ccc1-c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2C(F)(F)F)n1-c1ccccc1
InChIInChI=1S/C58H39F6N5/c59-57(60,61)53-36-47(67(49-18-10-34-65-38-49)45-24-20-42(21-25-45)40-12-4-1-5-13-40)28-30-51(53)55-32-33-56(69(55)44-16-8-3-9-17-44)52-31-29-48(37-54(52)58(62,63)64)68(50-19-11-35-66-39-50)46-26-22-43(23-27-46)41-14-6-2-7-15-41/h1-39H
InChIKeyMTFVNYVDXMSGQQ-UHFFFAOYSA-N
XLogP16.91
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.97
LogP ≤ 516.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]pyridin-3-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]pyridin-3-amine (CID 122660800) is N-(4-phenylphenyl)-N-[4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]pyridin-3-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]pyridin-3-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]pyridin-3-amine is FC(F)(F)c1cc(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-(4-phenylphenyl)-N-[4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]pyridin-3-amine?
The InChIKey is MTFVNYVDXMSGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39F6N5/c59-57(60,61)53-36-47(67(49-18-10-34-65-38-49)45-24-20-42(21-25-45)40-12-4-1-5-13-40)28-30-51(53)55-32-33-56(69(55)44-16-8-3-9-17-44)52-31-29-48(37-54(52)58(62,63)64)68(50-19-11-35-66-39-50)46-26-22-43(23-27-46)41-14-6-2-7-15-41/h1-39H.
What are the key properties of N-(4-phenylphenyl)-N-[4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]pyridin-3-amine?
N-(4-phenylphenyl)-N-[4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]pyridin-3-amine has a molecular weight of 919.97 g/mol, XLogP of 16.91, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(trifluoromethyl)phenyl]pyridin-3-amine is sourced from PubChem (CID 122660800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).