4-hydroxy-10,10-dimethyl-1-(4-phenylphenyl)-3-(2,2,2-trifluoroacetyl)indeno[1,2-g]quinolin-2-one

C32H22F3NO3 — CID 166465024

IUPAC4-hydroxy-10,10-dimethyl-1-(4-phenylphenyl)-3-(2,2,2-trifluoroacetyl)indeno[1,2-g]quinolin-2-one
SMILESCC1(C)c2ccccc2-c2cc3c(O)c(C(=O)C(F)(F)F)c(=O)n(-c4ccc(-c5ccccc5)cc4)c3cc21
InChIInChI=1S/C32H22F3NO3/c1-31(2)24-11-7-6-10-21(24)22-16-23-26(17-25(22)31)36(30(39)27(28(23)37)29(38)32(33,34)35)20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-17,37H,1-2H3
InChIKeyHKUMONYMTZPLBI-UHFFFAOYSA-N
MW525.53 g/mol
LogP7.41
Rot. Bonds3

About 4-hydroxy-10,10-dimethyl-1-(4-phenylphenyl)-3-(2,2,2-trifluoroacetyl)indeno[1,2-g]quinolin-2-one

4-hydroxy-10,10-dimethyl-1-(4-phenylphenyl)-3-(2,2,2-trifluoroacetyl)indeno[1,2-g]quinolin-2-one (PubChem CID 166465024) has the molecular formula C32H22F3NO3 and a molecular weight of 525.53 g/mol. Its IUPAC name is 4-hydroxy-10,10-dimethyl-1-(4-phenylphenyl)-3-(2,2,2-trifluoroacetyl)indeno[1,2-g]quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-10,10-dimethyl-1-(4-phenylphenyl)-3-(2,2,2-trifluoroacetyl)indeno[1,2-g]quinolin-2-one
PubChem CID166465024
Molecular FormulaC32H22F3NO3
Molecular Weight525.53 g/mol
Exact Mass525.16
IUPAC Name4-hydroxy-10,10-dimethyl-1-(4-phenylphenyl)-3-(2,2,2-trifluoroacetyl)indeno[1,2-g]quinolin-2-one
SMILESCC1(C)c2ccccc2-c2cc3c(O)c(C(=O)C(F)(F)F)c(=O)n(-c4ccc(-c5ccccc5)cc4)c3cc21
InChIInChI=1S/C32H22F3NO3/c1-31(2)24-11-7-6-10-21(24)22-16-23-26(17-25(22)31)36(30(39)27(28(23)37)29(38)32(33,34)35)20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-17,37H,1-2H3
InChIKeyHKUMONYMTZPLBI-UHFFFAOYSA-N
XLogP7.41
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.53
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
6-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-1,3-diphenylquinazoline-2,4-dione
CID 122491504
3-chloro-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 137385762
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
2-phenyl-5-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]-1,3,4-oxadiazole
CID 89492500
N-[4-(28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaen-32-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 122527931
7,7-dimethyl-5-phenyl-2-(4-phenylnaphthalen-1-yl)indeno[2,1-b]carbazole
CID 170395420
7,7-dimethyl-5-phenyl-2-(10-phenylanthracen-9-yl)indeno[2,1-b]carbazole
CID 144609405
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-diphenylquinazoline-2,4-dione
CID 122491611

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-10,10-dimethyl-1-(4-phenylphenyl)-3-(2,2,2-trifluoroacetyl)indeno[1,2-g]quinolin-2-one?
The IUPAC name of 4-hydroxy-10,10-dimethyl-1-(4-phenylphenyl)-3-(2,2,2-trifluoroacetyl)indeno[1,2-g]quinolin-2-one (CID 166465024) is 4-hydroxy-10,10-dimethyl-1-(4-phenylphenyl)-3-(2,2,2-trifluoroacetyl)indeno[1,2-g]quinolin-2-one.
What is the SMILES notation for 4-hydroxy-10,10-dimethyl-1-(4-phenylphenyl)-3-(2,2,2-trifluoroacetyl)indeno[1,2-g]quinolin-2-one?
The canonical SMILES for 4-hydroxy-10,10-dimethyl-1-(4-phenylphenyl)-3-(2,2,2-trifluoroacetyl)indeno[1,2-g]quinolin-2-one is CC1(C)c2ccccc2-c2cc3c(O)c(C(=O)C(F)(F)F)c(=O)n(-c4ccc(-c5ccccc5)cc4)c3cc21.
What is the InChIKey of 4-hydroxy-10,10-dimethyl-1-(4-phenylphenyl)-3-(2,2,2-trifluoroacetyl)indeno[1,2-g]quinolin-2-one?
The InChIKey is HKUMONYMTZPLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F3NO3/c1-31(2)24-11-7-6-10-21(24)22-16-23-26(17-25(22)31)36(30(39)27(28(23)37)29(38)32(33,34)35)20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-17,37H,1-2H3.
What are the key properties of 4-hydroxy-10,10-dimethyl-1-(4-phenylphenyl)-3-(2,2,2-trifluoroacetyl)indeno[1,2-g]quinolin-2-one?
4-hydroxy-10,10-dimethyl-1-(4-phenylphenyl)-3-(2,2,2-trifluoroacetyl)indeno[1,2-g]quinolin-2-one has a molecular weight of 525.53 g/mol, XLogP of 7.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-10,10-dimethyl-1-(4-phenylphenyl)-3-(2,2,2-trifluoroacetyl)indeno[1,2-g]quinolin-2-one is sourced from PubChem (CID 166465024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).