3,3-bis(4-methylphenyl)-2-benzofuran-1-one;9,9-bis(4-methylphenyl)fluorene;3',6'-dimethylspiro[anthracene-10,9'-xanthene]-9-one;3',6'-dimethylspiro[fluorene-9,9'-xanthene]

C104H80O5 — CID 161444479

IUPAC3,3-bis(4-methylphenyl)-2-benzofuran-1-one;9,9-bis(4-methylphenyl)fluorene;3',6'-dimethylspiro[anthracene-10,9'-xanthene]-9-one;3',6'-dimethylspiro[fluorene-9,9'-xanthene]
SMILESCc1ccc(C2(c3ccc(C)cc3)OC(=O)c3ccccc32)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2-c2ccccc21.Cc1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C28H20O2.C27H20O.C27H22.C22H18O2/c1-17-11-13-23-25(15-17)30-26-16-18(2)12-14-24(26)28(23)21-9-5-3-7-19(21)27(29)20-8-4-6-10-22(20)28;1-17-11-13-23-25(15-17)28-26-16-18(2)12-14-24(26)27(23)21-9-5-3-7-19(21)20-8-4-6-10-22(20)27;1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-15-7-11-17(12-8-15)22(18-13-9-16(2)10-14-18)20-6-4-3-5-19(20)21(23)24-22/h3-16H,1-2H3;3-16H,1-2H3;3-18H,1-2H3;3-14H,1-2H3
InChIKeyVZSDNKVLTAOPIJ-UHFFFAOYSA-N
MW1409.78 g/mol
LogP24.54
Rot. Bonds4

About 3,3-bis(4-methylphenyl)-2-benzofuran-1-one;9,9-bis(4-methylphenyl)fluorene;3',6'-dimethylspiro[anthracene-10,9'-xanthene]-9-one;3',6'-dimethylspiro[fluorene-9,9'-xanthene]

3,3-bis(4-methylphenyl)-2-benzofuran-1-one;9,9-bis(4-methylphenyl)fluorene;3',6'-dimethylspiro[anthracene-10,9'-xanthene]-9-one;3',6'-dimethylspiro[fluorene-9,9'-xanthene] (PubChem CID 161444479) has the molecular formula C104H80O5 and a molecular weight of 1409.78 g/mol. Its IUPAC name is 3,3-bis(4-methylphenyl)-2-benzofuran-1-one;9,9-bis(4-methylphenyl)fluorene;3',6'-dimethylspiro[anthracene-10,9'-xanthene]-9-one;3',6'-dimethylspiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name3,3-bis(4-methylphenyl)-2-benzofuran-1-one;9,9-bis(4-methylphenyl)fluorene;3',6'-dimethylspiro[anthracene-10,9'-xanthene]-9-one;3',6'-dimethylspiro[fluorene-9,9'-xanthene]
PubChem CID161444479
Molecular FormulaC104H80O5
Molecular Weight1409.78 g/mol
Exact Mass1408.60
IUPAC Name3,3-bis(4-methylphenyl)-2-benzofuran-1-one;9,9-bis(4-methylphenyl)fluorene;3',6'-dimethylspiro[anthracene-10,9'-xanthene]-9-one;3',6'-dimethylspiro[fluorene-9,9'-xanthene]
SMILESCc1ccc(C2(c3ccc(C)cc3)OC(=O)c3ccccc32)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2-c2ccccc21.Cc1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C28H20O2.C27H20O.C27H22.C22H18O2/c1-17-11-13-23-25(15-17)30-26-16-18(2)12-14-24(26)28(23)21-9-5-3-7-19(21)27(29)20-8-4-6-10-22(20)28;1-17-11-13-23-25(15-17)28-26-16-18(2)12-14-24(26)27(23)21-9-5-3-7-19(21)20-8-4-6-10-22(20)27;1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-15-7-11-17(12-8-15)22(18-13-9-16(2)10-14-18)20-6-4-3-5-19(20)21(23)24-22/h3-16H,1-2H3;3-16H,1-2H3;3-18H,1-2H3;3-14H,1-2H3
InChIKeyVZSDNKVLTAOPIJ-UHFFFAOYSA-N
XLogP24.54
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001409.78
LogP ≤ 524.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,3-bis(4-methylphenyl)-2-benzofuran-1-one;9,9-bis(4-methylphenyl)fluorene;3',6'-dimethylspiro[anthracene-10,9'-xanthene]-9-one;3',6'-dimethylspiro[fluorene-9,9'-xanthene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3'-methyl-6'-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 58112656
(6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate
CID 89432471
3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethane;methane;propane
CID 164984013
3'-methyl-6'-(2-methylpropoxy)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 159193234
3-(4-ethylphenyl)-3-[4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]phenyl]-2-benzofuran-1-one
CID 164975256
potassium (6'-azanidyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)azanide
CID 20775252
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one
CID 20731315
3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170243199
6'-(dimethylamino)-2'-(N,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 54258165
(6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) (benzyldisulfanyl)formate
CID 157215631
3'-[(N,4-dimethylanilino)methyl]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 140885373

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-methylphenyl)-2-benzofuran-1-one;9,9-bis(4-methylphenyl)fluorene;3',6'-dimethylspiro[anthracene-10,9'-xanthene]-9-one;3',6'-dimethylspiro[fluorene-9,9'-xanthene]?
The IUPAC name of 3,3-bis(4-methylphenyl)-2-benzofuran-1-one;9,9-bis(4-methylphenyl)fluorene;3',6'-dimethylspiro[anthracene-10,9'-xanthene]-9-one;3',6'-dimethylspiro[fluorene-9,9'-xanthene] (CID 161444479) is 3,3-bis(4-methylphenyl)-2-benzofuran-1-one;9,9-bis(4-methylphenyl)fluorene;3',6'-dimethylspiro[anthracene-10,9'-xanthene]-9-one;3',6'-dimethylspiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 3,3-bis(4-methylphenyl)-2-benzofuran-1-one;9,9-bis(4-methylphenyl)fluorene;3',6'-dimethylspiro[anthracene-10,9'-xanthene]-9-one;3',6'-dimethylspiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 3,3-bis(4-methylphenyl)-2-benzofuran-1-one;9,9-bis(4-methylphenyl)fluorene;3',6'-dimethylspiro[anthracene-10,9'-xanthene]-9-one;3',6'-dimethylspiro[fluorene-9,9'-xanthene] is Cc1ccc(C2(c3ccc(C)cc3)OC(=O)c3ccccc32)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2-c2ccccc21.Cc1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)c2ccccc21.
What is the InChIKey of 3,3-bis(4-methylphenyl)-2-benzofuran-1-one;9,9-bis(4-methylphenyl)fluorene;3',6'-dimethylspiro[anthracene-10,9'-xanthene]-9-one;3',6'-dimethylspiro[fluorene-9,9'-xanthene]?
The InChIKey is VZSDNKVLTAOPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20O2.C27H20O.C27H22.C22H18O2/c1-17-11-13-23-25(15-17)30-26-16-18(2)12-14-24(26)28(23)21-9-5-3-7-19(21)27(29)20-8-4-6-10-22(20)28;1-17-11-13-23-25(15-17)28-26-16-18(2)12-14-24(26)27(23)21-9-5-3-7-19(21)20-8-4-6-10-22(20)27;1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-15-7-11-17(12-8-15)22(18-13-9-16(2)10-14-18)20-6-4-3-5-19(20)21(23)24-22/h3-16H,1-2H3;3-16H,1-2H3;3-18H,1-2H3;3-14H,1-2H3.
What are the key properties of 3,3-bis(4-methylphenyl)-2-benzofuran-1-one;9,9-bis(4-methylphenyl)fluorene;3',6'-dimethylspiro[anthracene-10,9'-xanthene]-9-one;3',6'-dimethylspiro[fluorene-9,9'-xanthene]?
3,3-bis(4-methylphenyl)-2-benzofuran-1-one;9,9-bis(4-methylphenyl)fluorene;3',6'-dimethylspiro[anthracene-10,9'-xanthene]-9-one;3',6'-dimethylspiro[fluorene-9,9'-xanthene] has a molecular weight of 1409.78 g/mol, XLogP of 24.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-methylphenyl)-2-benzofuran-1-one;9,9-bis(4-methylphenyl)fluorene;3',6'-dimethylspiro[anthracene-10,9'-xanthene]-9-one;3',6'-dimethylspiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 161444479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).