3-phenyl-2-[10-(3-phenylimidazo[4,5-b]pyridin-2-yl)-6,7,14,15-tetrakis(trifluoromethyl)tetraphenylen-2-yl]imidazo[4,5-b]pyridine

C52H26F12N6 — CID 59855600

IUPAC3-phenyl-2-[10-(3-phenylimidazo[4,5-b]pyridin-2-yl)-6,7,14,15-tetrakis(trifluoromethyl)tetraphenylen-2-yl]imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cc2c(cc1C(F)(F)F)-c1cc(-c3nc4cccnc4n3-c3ccccc3)ccc1-c1cc(C(F)(F)F)c(C(F)(F)F)cc1-c1cc(-c3nc4cccnc4n3-c3ccccc3)ccc1-2
InChIInChI=1S/C52H26F12N6/c53-49(54,55)39-23-35-31-17-15-27(45-67-43-13-7-19-65-47(43)69(45)29-9-3-1-4-10-29)21-33(31)37-25-41(51(59,60)61)40(50(56,57)58)24-36(37)32-18-16-28(22-34(32)38(35)26-42(39)52(62,63)64)46-68-44-14-8-20-66-48(44)70(46)30-11-5-2-6-12-30/h1-26H/b35-31-,36-32-,37-33-,38-34-
InChIKeyUAHFYQXFZKIUCU-JQNQKAQLSA-N
MW962.80 g/mol
LogP15.55
Rot. Bonds4

About 3-phenyl-2-[10-(3-phenylimidazo[4,5-b]pyridin-2-yl)-6,7,14,15-tetrakis(trifluoromethyl)tetraphenylen-2-yl]imidazo[4,5-b]pyridine

3-phenyl-2-[10-(3-phenylimidazo[4,5-b]pyridin-2-yl)-6,7,14,15-tetrakis(trifluoromethyl)tetraphenylen-2-yl]imidazo[4,5-b]pyridine (PubChem CID 59855600) has the molecular formula C52H26F12N6 and a molecular weight of 962.80 g/mol. Its IUPAC name is 3-phenyl-2-[10-(3-phenylimidazo[4,5-b]pyridin-2-yl)-6,7,14,15-tetrakis(trifluoromethyl)tetraphenylen-2-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-phenyl-2-[10-(3-phenylimidazo[4,5-b]pyridin-2-yl)-6,7,14,15-tetrakis(trifluoromethyl)tetraphenylen-2-yl]imidazo[4,5-b]pyridine
PubChem CID59855600
Molecular FormulaC52H26F12N6
Molecular Weight962.80 g/mol
Exact Mass962.20
IUPAC Name3-phenyl-2-[10-(3-phenylimidazo[4,5-b]pyridin-2-yl)-6,7,14,15-tetrakis(trifluoromethyl)tetraphenylen-2-yl]imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cc2c(cc1C(F)(F)F)-c1cc(-c3nc4cccnc4n3-c3ccccc3)ccc1-c1cc(C(F)(F)F)c(C(F)(F)F)cc1-c1cc(-c3nc4cccnc4n3-c3ccccc3)ccc1-2
InChIInChI=1S/C52H26F12N6/c53-49(54,55)39-23-35-31-17-15-27(45-67-43-13-7-19-65-47(43)69(45)29-9-3-1-4-10-29)21-33(31)37-25-41(51(59,60)61)40(50(56,57)58)24-36(37)32-18-16-28(22-34(32)38(35)26-42(39)52(62,63)64)46-68-44-14-8-20-66-48(44)70(46)30-11-5-2-6-12-30/h1-26H/b35-31-,36-32-,37-33-,38-34-
InChIKeyUAHFYQXFZKIUCU-JQNQKAQLSA-N
XLogP15.55
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.80
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-phenyl-2-[10-(3-phenylimidazo[4,5-b]pyridin-2-yl)-6,7,14,15-tetrakis(trifluoromethyl)tetraphenylen-2-yl]imidazo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[10-(3-phenylimidazo[4,5-b]pyridin-2-yl)-6,7,14,15-tetrakis(trifluoromethyl)tetraphenylen-2-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-phenyl-2-[10-(3-phenylimidazo[4,5-b]pyridin-2-yl)-6,7,14,15-tetrakis(trifluoromethyl)tetraphenylen-2-yl]imidazo[4,5-b]pyridine (CID 59855600) is 3-phenyl-2-[10-(3-phenylimidazo[4,5-b]pyridin-2-yl)-6,7,14,15-tetrakis(trifluoromethyl)tetraphenylen-2-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-phenyl-2-[10-(3-phenylimidazo[4,5-b]pyridin-2-yl)-6,7,14,15-tetrakis(trifluoromethyl)tetraphenylen-2-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-phenyl-2-[10-(3-phenylimidazo[4,5-b]pyridin-2-yl)-6,7,14,15-tetrakis(trifluoromethyl)tetraphenylen-2-yl]imidazo[4,5-b]pyridine is FC(F)(F)c1cc2c(cc1C(F)(F)F)-c1cc(-c3nc4cccnc4n3-c3ccccc3)ccc1-c1cc(C(F)(F)F)c(C(F)(F)F)cc1-c1cc(-c3nc4cccnc4n3-c3ccccc3)ccc1-2.
What is the InChIKey of 3-phenyl-2-[10-(3-phenylimidazo[4,5-b]pyridin-2-yl)-6,7,14,15-tetrakis(trifluoromethyl)tetraphenylen-2-yl]imidazo[4,5-b]pyridine?
The InChIKey is UAHFYQXFZKIUCU-JQNQKAQLSA-N. The full InChI is InChI=1S/C52H26F12N6/c53-49(54,55)39-23-35-31-17-15-27(45-67-43-13-7-19-65-47(43)69(45)29-9-3-1-4-10-29)21-33(31)37-25-41(51(59,60)61)40(50(56,57)58)24-36(37)32-18-16-28(22-34(32)38(35)26-42(39)52(62,63)64)46-68-44-14-8-20-66-48(44)70(46)30-11-5-2-6-12-30/h1-26H/b35-31-,36-32-,37-33-,38-34-.
What are the key properties of 3-phenyl-2-[10-(3-phenylimidazo[4,5-b]pyridin-2-yl)-6,7,14,15-tetrakis(trifluoromethyl)tetraphenylen-2-yl]imidazo[4,5-b]pyridine?
3-phenyl-2-[10-(3-phenylimidazo[4,5-b]pyridin-2-yl)-6,7,14,15-tetrakis(trifluoromethyl)tetraphenylen-2-yl]imidazo[4,5-b]pyridine has a molecular weight of 962.80 g/mol, XLogP of 15.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[10-(3-phenylimidazo[4,5-b]pyridin-2-yl)-6,7,14,15-tetrakis(trifluoromethyl)tetraphenylen-2-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 59855600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).