N-(2,3,4,5,6-pentafluorophenyl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]thiophen-2-yl]phenyl]-6-phenylpyridin-3-amine

C50H26F10N4S — CID 122659570

IUPACN-(2,3,4,5,6-pentafluorophenyl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]thiophen-2-yl]phenyl]-6-phenylpyridin-3-amine
SMILESFc1c(F)c(F)c(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)nc5)c5c(F)c(F)c(F)c(F)c5F)cc4)s3)cc2)c2ccc(-c3ccccc3)nc2)c(F)c1F
InChIInChI=1S/C50H26F10N4S/c51-39-41(53)45(57)49(46(58)42(39)54)63(33-19-21-35(61-25-33)27-7-3-1-4-8-27)31-15-11-29(12-16-31)37-23-24-38(65-37)30-13-17-32(18-14-30)64(50-47(59)43(55)40(52)44(56)48(50)60)34-20-22-36(62-26-34)28-9-5-2-6-10-28/h1-26H
InChIKeyFHJDHHFRIJSYDD-UHFFFAOYSA-N
MW904.83 g/mol
LogP15.54
Rot. Bonds10

About N-(2,3,4,5,6-pentafluorophenyl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]thiophen-2-yl]phenyl]-6-phenylpyridin-3-amine

N-(2,3,4,5,6-pentafluorophenyl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]thiophen-2-yl]phenyl]-6-phenylpyridin-3-amine (PubChem CID 122659570) has the molecular formula C50H26F10N4S and a molecular weight of 904.83 g/mol. Its IUPAC name is N-(2,3,4,5,6-pentafluorophenyl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]thiophen-2-yl]phenyl]-6-phenylpyridin-3-amine.

Molecular Properties

Compound NameN-(2,3,4,5,6-pentafluorophenyl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]thiophen-2-yl]phenyl]-6-phenylpyridin-3-amine
PubChem CID122659570
Molecular FormulaC50H26F10N4S
Molecular Weight904.83 g/mol
Exact Mass904.17
IUPAC NameN-(2,3,4,5,6-pentafluorophenyl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]thiophen-2-yl]phenyl]-6-phenylpyridin-3-amine
SMILESFc1c(F)c(F)c(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)nc5)c5c(F)c(F)c(F)c(F)c5F)cc4)s3)cc2)c2ccc(-c3ccccc3)nc2)c(F)c1F
InChIInChI=1S/C50H26F10N4S/c51-39-41(53)45(57)49(46(58)42(39)54)63(33-19-21-35(61-25-33)27-7-3-1-4-8-27)31-15-11-29(12-16-31)37-23-24-38(65-37)30-13-17-32(18-14-30)64(50-47(59)43(55)40(52)44(56)48(50)60)34-20-22-36(62-26-34)28-9-5-2-6-10-28/h1-26H
InChIKeyFHJDHHFRIJSYDD-UHFFFAOYSA-N
XLogP15.54
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.83
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]thiophen-2-yl]phenyl]-6-phenylpyridin-3-amine?
The IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]thiophen-2-yl]phenyl]-6-phenylpyridin-3-amine (CID 122659570) is N-(2,3,4,5,6-pentafluorophenyl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]thiophen-2-yl]phenyl]-6-phenylpyridin-3-amine.
What is the SMILES notation for N-(2,3,4,5,6-pentafluorophenyl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]thiophen-2-yl]phenyl]-6-phenylpyridin-3-amine?
The canonical SMILES for N-(2,3,4,5,6-pentafluorophenyl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]thiophen-2-yl]phenyl]-6-phenylpyridin-3-amine is Fc1c(F)c(F)c(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)nc5)c5c(F)c(F)c(F)c(F)c5F)cc4)s3)cc2)c2ccc(-c3ccccc3)nc2)c(F)c1F.
What is the InChIKey of N-(2,3,4,5,6-pentafluorophenyl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]thiophen-2-yl]phenyl]-6-phenylpyridin-3-amine?
The InChIKey is FHJDHHFRIJSYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H26F10N4S/c51-39-41(53)45(57)49(46(58)42(39)54)63(33-19-21-35(61-25-33)27-7-3-1-4-8-27)31-15-11-29(12-16-31)37-23-24-38(65-37)30-13-17-32(18-14-30)64(50-47(59)43(55)40(52)44(56)48(50)60)34-20-22-36(62-26-34)28-9-5-2-6-10-28/h1-26H.
What are the key properties of N-(2,3,4,5,6-pentafluorophenyl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]thiophen-2-yl]phenyl]-6-phenylpyridin-3-amine?
N-(2,3,4,5,6-pentafluorophenyl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]thiophen-2-yl]phenyl]-6-phenylpyridin-3-amine has a molecular weight of 904.83 g/mol, XLogP of 15.54, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6-pentafluorophenyl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]thiophen-2-yl]phenyl]-6-phenylpyridin-3-amine is sourced from PubChem (CID 122659570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).