N-(2,3,4,5,6-pentafluorocyclohexa-1,3-dien-1-yl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-6-phenylpyridin-3-amine

C56H33F10N5 — CID 144874443

IUPACN-(2,3,4,5,6-pentafluorocyclohexa-1,3-dien-1-yl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-6-phenylpyridin-3-amine
SMILESFC1=C(F)C(F)C(F)C(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)nc5)c5c(F)c(F)c(F)c(F)c5F)cc4)n3-c3ccccc3)cc2)c2ccc(-c3ccccc3)nc2)=C1F
InChIInChI=1S/C56H33F10N5/c57-45-47(59)51(63)55(52(64)48(45)60)69(39-24-26-41(67-30-39)32-10-4-1-5-11-32)37-20-16-34(17-21-37)43-28-29-44(71(43)36-14-8-3-9-15-36)35-18-22-38(23-19-35)70(56-53(65)49(61)46(58)50(62)54(56)66)40-25-27-42(68-31-40)33-12-6-2-7-13-33/h1-31,47,51H
InChIKeyRCBINCQNDITKKN-UHFFFAOYSA-N
MW965.89 g/mol
LogP16.26
Rot. Bonds11

About N-(2,3,4,5,6-pentafluorocyclohexa-1,3-dien-1-yl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-6-phenylpyridin-3-amine

N-(2,3,4,5,6-pentafluorocyclohexa-1,3-dien-1-yl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-6-phenylpyridin-3-amine (PubChem CID 144874443) has the molecular formula C56H33F10N5 and a molecular weight of 965.89 g/mol. Its IUPAC name is N-(2,3,4,5,6-pentafluorocyclohexa-1,3-dien-1-yl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-6-phenylpyridin-3-amine.

Molecular Properties

Compound NameN-(2,3,4,5,6-pentafluorocyclohexa-1,3-dien-1-yl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-6-phenylpyridin-3-amine
PubChem CID144874443
Molecular FormulaC56H33F10N5
Molecular Weight965.89 g/mol
Exact Mass965.26
IUPAC NameN-(2,3,4,5,6-pentafluorocyclohexa-1,3-dien-1-yl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-6-phenylpyridin-3-amine
SMILESFC1=C(F)C(F)C(F)C(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)nc5)c5c(F)c(F)c(F)c(F)c5F)cc4)n3-c3ccccc3)cc2)c2ccc(-c3ccccc3)nc2)=C1F
InChIInChI=1S/C56H33F10N5/c57-45-47(59)51(63)55(52(64)48(45)60)69(39-24-26-41(67-30-39)32-10-4-1-5-11-32)37-20-16-34(17-21-37)43-28-29-44(71(43)36-14-8-3-9-15-36)35-18-22-38(23-19-35)70(56-53(65)49(61)46(58)50(62)54(56)66)40-25-27-42(68-31-40)33-12-6-2-7-13-33/h1-31,47,51H
InChIKeyRCBINCQNDITKKN-UHFFFAOYSA-N
XLogP16.26
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.89
LogP ≤ 516.26
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-pentafluorocyclohexa-1,3-dien-1-yl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-6-phenylpyridin-3-amine?
The IUPAC name of N-(2,3,4,5,6-pentafluorocyclohexa-1,3-dien-1-yl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-6-phenylpyridin-3-amine (CID 144874443) is N-(2,3,4,5,6-pentafluorocyclohexa-1,3-dien-1-yl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-6-phenylpyridin-3-amine.
What is the SMILES notation for N-(2,3,4,5,6-pentafluorocyclohexa-1,3-dien-1-yl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-6-phenylpyridin-3-amine?
The canonical SMILES for N-(2,3,4,5,6-pentafluorocyclohexa-1,3-dien-1-yl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-6-phenylpyridin-3-amine is FC1=C(F)C(F)C(F)C(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)nc5)c5c(F)c(F)c(F)c(F)c5F)cc4)n3-c3ccccc3)cc2)c2ccc(-c3ccccc3)nc2)=C1F.
What is the InChIKey of N-(2,3,4,5,6-pentafluorocyclohexa-1,3-dien-1-yl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-6-phenylpyridin-3-amine?
The InChIKey is RCBINCQNDITKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33F10N5/c57-45-47(59)51(63)55(52(64)48(45)60)69(39-24-26-41(67-30-39)32-10-4-1-5-11-32)37-20-16-34(17-21-37)43-28-29-44(71(43)36-14-8-3-9-15-36)35-18-22-38(23-19-35)70(56-53(65)49(61)46(58)50(62)54(56)66)40-25-27-42(68-31-40)33-12-6-2-7-13-33/h1-31,47,51H.
What are the key properties of N-(2,3,4,5,6-pentafluorocyclohexa-1,3-dien-1-yl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-6-phenylpyridin-3-amine?
N-(2,3,4,5,6-pentafluorocyclohexa-1,3-dien-1-yl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-6-phenylpyridin-3-amine has a molecular weight of 965.89 g/mol, XLogP of 16.26, 11 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-pentafluorocyclohexa-1,3-dien-1-yl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-6-phenylpyridin-3-amine is sourced from PubChem (CID 144874443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).