4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole

C52H32F6N4O2 — CID 88590516

IUPAC4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole
SMILESCc1ccc(C(F)(F)F)c2oc(-c3ccc(-c4ccc(-c5ccc(-c6ccccn6)nc5-c5ccc(-c6ccc(-c7nc8c(C(F)(F)F)ccc(C)c8o7)cc6)cc5)cc4)cc3)nc12
InChIInChI=1S/C52H32F6N4O2/c1-29-6-26-41(52(56,57)58)48-44(29)61-49(64-48)37-20-12-33(13-21-37)31-8-16-35(17-9-31)39-24-27-43(42-5-3-4-28-59-42)60-45(39)36-18-10-32(11-19-36)34-14-22-38(23-15-34)50-62-46-40(51(53,54)55)25-7-30(2)47(46)63-50/h3-28H,1-2H3
InChIKeyKRTULMVEKPKGOY-UHFFFAOYSA-N
MW858.84 g/mol
LogP15.08
Rot. Bonds7

About 4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole

4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 88590516) has the molecular formula C52H32F6N4O2 and a molecular weight of 858.84 g/mol. Its IUPAC name is 4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole
PubChem CID88590516
Molecular FormulaC52H32F6N4O2
Molecular Weight858.84 g/mol
Exact Mass858.24
IUPAC Name4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole
SMILESCc1ccc(C(F)(F)F)c2oc(-c3ccc(-c4ccc(-c5ccc(-c6ccccn6)nc5-c5ccc(-c6ccc(-c7nc8c(C(F)(F)F)ccc(C)c8o7)cc6)cc5)cc4)cc3)nc12
InChIInChI=1S/C52H32F6N4O2/c1-29-6-26-41(52(56,57)58)48-44(29)61-49(64-48)37-20-12-33(13-21-37)31-8-16-35(17-9-31)39-24-27-43(42-5-3-4-28-59-42)60-45(39)36-18-10-32(11-19-36)34-14-22-38(23-15-34)50-62-46-40(51(53,54)55)25-7-30(2)47(46)63-50/h3-28H,1-2H3
InChIKeyKRTULMVEKPKGOY-UHFFFAOYSA-N
XLogP15.08
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.84
LogP ≤ 515.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole?
The IUPAC name of 4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole (CID 88590516) is 4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole.
What is the SMILES notation for 4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole?
The canonical SMILES for 4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole is Cc1ccc(C(F)(F)F)c2oc(-c3ccc(-c4ccc(-c5ccc(-c6ccccn6)nc5-c5ccc(-c6ccc(-c7nc8c(C(F)(F)F)ccc(C)c8o7)cc6)cc5)cc4)cc3)nc12.
What is the InChIKey of 4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole?
The InChIKey is KRTULMVEKPKGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32F6N4O2/c1-29-6-26-41(52(56,57)58)48-44(29)61-49(64-48)37-20-12-33(13-21-37)31-8-16-35(17-9-31)39-24-27-43(42-5-3-4-28-59-42)60-45(39)36-18-10-32(11-19-36)34-14-22-38(23-15-34)50-62-46-40(51(53,54)55)25-7-30(2)47(46)63-50/h3-28H,1-2H3.
What are the key properties of 4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole?
4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 858.84 g/mol, XLogP of 15.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 88590516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).