1-[4-[4-methyl-3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]naphthalen-2-ol;platinum

C34H20F3N2O2Pt- — CID 177110120

IUPAC1-[4-[4-methyl-3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]naphthalen-2-ol;platinum
SMILESCc1ccc(-c2cccc3oc(-c4c(O)ccc5ccccc45)nc23)[c-]c1-c1cc(C(F)(F)F)cc2cccnc12.[Pt]
InChIInChI=1S/C34H20F3N2O2.Pt/c1-19-11-12-21(17-26(19)27-18-23(34(35,36)37)16-22-7-5-15-38-31(22)27)25-9-4-10-29-32(25)39-33(41-29)30-24-8-3-2-6-20(24)13-14-28(30)40;/h2-16,18,40H,1H3;/q-1;
InChIKeyUMEIBCGLRKDYEP-UHFFFAOYSA-N
MW740.62 g/mol
LogP9.36
Rot. Bonds3

About 1-[4-[4-methyl-3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]naphthalen-2-ol;platinum

1-[4-[4-methyl-3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]naphthalen-2-ol;platinum (PubChem CID 177110120) has the molecular formula C34H20F3N2O2Pt- and a molecular weight of 740.62 g/mol. Its IUPAC name is 1-[4-[4-methyl-3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]naphthalen-2-ol;platinum.

Molecular Properties

Compound Name1-[4-[4-methyl-3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]naphthalen-2-ol;platinum
PubChem CID177110120
Molecular FormulaC34H20F3N2O2Pt-
Molecular Weight740.62 g/mol
Exact Mass740.11
IUPAC Name1-[4-[4-methyl-3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]naphthalen-2-ol;platinum
SMILESCc1ccc(-c2cccc3oc(-c4c(O)ccc5ccccc45)nc23)[c-]c1-c1cc(C(F)(F)F)cc2cccnc12.[Pt]
InChIInChI=1S/C34H20F3N2O2.Pt/c1-19-11-12-21(17-26(19)27-18-23(34(35,36)37)16-22-7-5-15-38-31(22)27)25-9-4-10-29-32(25)39-33(41-29)30-24-8-3-2-6-20(24)13-14-28(30)40;/h2-16,18,40H,1H3;/q-1;
InChIKeyUMEIBCGLRKDYEP-UHFFFAOYSA-N
XLogP9.36
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.62
LogP ≤ 59.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

5-(4-ethoxyphenyl)-7-(4-fluorobenzyl)-6H-pyrrolo[3,4-g]quinolin-8(7H)-one
CID 10071236
6-Fluoro-2-[3,4,5-trifluoro-2-[(2-methylpropan-2-yl)oxy]-6-pyridin-2-ylphenyl]-1,3-benzoxazole
CID 139040790
1,3-Bis(2-(quinolin-6-yl)benzo[d]oxazol-5-yl)benzene
CID 86724828
5-[2-[4-Phenyl-3-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]pyridine-2-carboxylic acid
CID 16047304
6-(2-Fluorophenyl)-2-quinolin-6-yl-1,3-benzoxazole
CID 57940858
2-[4-[4-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-ylpyridin-3-yl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 57958484
2-[4-[4-[2-[4-[4-[5,6-Bis(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-ylpyridin-3-yl]phenyl]phenyl]-5,6-bis(trifluoromethyl)-1,3-benzoxazole
CID 57958515
2-[4-[4-[6-Pyridin-2-yl-2-[4-[4-[4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]pyridin-3-yl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 57958541
2-[4-[4-[3-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-ylpyridin-2-yl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 57958577
9-Benzhydryloxy-7-(4-fluoro-benzyl)-5-(2-methoxy-pyridin-3-yl)-6,7-dihydro-pyrrolo[3,4-g]quinolin-8-one
CID 58928663
9-Benzhydryloxy-7-(4-fluoro-benzyl)-5-(2-fluoro-pyridin-3-yl)-6,7-dihydro-pyrrolo[3,4-g]quinolin-8-one
CID 58928691
9-benzhydryloxy-5-ethyl-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one
CID 58928710

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-methyl-3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]naphthalen-2-ol;platinum?
The IUPAC name of 1-[4-[4-methyl-3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]naphthalen-2-ol;platinum (CID 177110120) is 1-[4-[4-methyl-3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]naphthalen-2-ol;platinum.
What is the SMILES notation for 1-[4-[4-methyl-3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]naphthalen-2-ol;platinum?
The canonical SMILES for 1-[4-[4-methyl-3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]naphthalen-2-ol;platinum is Cc1ccc(-c2cccc3oc(-c4c(O)ccc5ccccc45)nc23)[c-]c1-c1cc(C(F)(F)F)cc2cccnc12.[Pt].
What is the InChIKey of 1-[4-[4-methyl-3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]naphthalen-2-ol;platinum?
The InChIKey is UMEIBCGLRKDYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20F3N2O2.Pt/c1-19-11-12-21(17-26(19)27-18-23(34(35,36)37)16-22-7-5-15-38-31(22)27)25-9-4-10-29-32(25)39-33(41-29)30-24-8-3-2-6-20(24)13-14-28(30)40;/h2-16,18,40H,1H3;/q-1;.
What are the key properties of 1-[4-[4-methyl-3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]naphthalen-2-ol;platinum?
1-[4-[4-methyl-3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]naphthalen-2-ol;platinum has a molecular weight of 740.62 g/mol, XLogP of 9.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-methyl-3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]naphthalen-2-ol;platinum is sourced from PubChem (CID 177110120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).