1-(4-acetyl-2,5-dimethylphenyl)ethanone;bis(7-methyl-9H-fluoren-2-yl)methanone;2,5-dimethylcyclohexa-2,5-diene-1,4-dione;2,5-dimethylcyclopenta-2,4-dien-1-one;2,7-dimethylfluoren-9-one;3,6-dimethylfluoren-9-one;[2'-(4-methylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-methylphenyl)methanone

C127H104O10 — CID 160702361

IUPAC1-(4-acetyl-2,5-dimethylphenyl)ethanone;bis(7-methyl-9H-fluoren-2-yl)methanone;2,5-dimethylcyclohexa-2,5-diene-1,4-dione;2,5-dimethylcyclopenta-2,4-dien-1-one;2,7-dimethylfluoren-9-one;3,6-dimethylfluoren-9-one;[2'-(4-methylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-methylphenyl)methanone
SMILESCC(=O)c1cc(C)c(C(C)=O)cc1C.CC1=CC(=O)C(C)=CC1=O.CC1=CC=C(C)C1=O.Cc1ccc(C(=O)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(C(=O)c4ccc(C)cc4)cc32)cc1.Cc1ccc2c(c1)-c1cc(C)ccc1C2=O.Cc1ccc2c(c1)C(=O)c1cc(C)ccc1-2.Cc1ccc2c(c1)Cc1cc(C(=O)c3ccc4c(c3)Cc3cc(C)ccc3-4)ccc1-2
InChIInChI=1S/C41H28O2.C29H22O.2C15H12O.C12H14O2.C8H8O2.C7H8O/c1-25-11-15-27(16-12-25)39(42)29-19-21-33-31-7-3-5-9-35(31)41(37(33)23-29)36-10-6-4-8-32(36)34-22-20-30(24-38(34)41)40(43)28-17-13-26(2)14-18-28;1-17-3-7-25-21(11-17)15-23-13-19(5-9-27(23)25)29(30)20-6-10-28-24(14-20)16-22-12-18(2)4-8-26(22)28;1-9-3-5-11-13(7-9)14-8-10(2)4-6-12(14)15(11)16;1-9-3-5-11-12-6-4-10(2)8-14(12)15(16)13(11)7-9;1-7-5-12(10(4)14)8(2)6-11(7)9(3)13;1-5-3-8(10)6(2)4-7(5)9;1-5-3-4-6(2)7(5)8/h3-24H,1-2H3;3-14H,15-16H2,1-2H3;2*3-8H,1-2H3;5-6H,1-4H3;3-4H,1-2H3;3-4H,1-2H3
InChIKeyRQUALXUKNIXIDE-UHFFFAOYSA-N
MW1790.22 g/mol
LogP28.02
Rot. Bonds8

About 1-(4-acetyl-2,5-dimethylphenyl)ethanone;bis(7-methyl-9H-fluoren-2-yl)methanone;2,5-dimethylcyclohexa-2,5-diene-1,4-dione;2,5-dimethylcyclopenta-2,4-dien-1-one;2,7-dimethylfluoren-9-one;3,6-dimethylfluoren-9-one;[2'-(4-methylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-methylphenyl)methanone

1-(4-acetyl-2,5-dimethylphenyl)ethanone;bis(7-methyl-9H-fluoren-2-yl)methanone;2,5-dimethylcyclohexa-2,5-diene-1,4-dione;2,5-dimethylcyclopenta-2,4-dien-1-one;2,7-dimethylfluoren-9-one;3,6-dimethylfluoren-9-one;[2'-(4-methylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-methylphenyl)methanone (PubChem CID 160702361) has the molecular formula C127H104O10 and a molecular weight of 1790.22 g/mol. Its IUPAC name is 1-(4-acetyl-2,5-dimethylphenyl)ethanone;bis(7-methyl-9H-fluoren-2-yl)methanone;2,5-dimethylcyclohexa-2,5-diene-1,4-dione;2,5-dimethylcyclopenta-2,4-dien-1-one;2,7-dimethylfluoren-9-one;3,6-dimethylfluoren-9-one;[2'-(4-methylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name1-(4-acetyl-2,5-dimethylphenyl)ethanone;bis(7-methyl-9H-fluoren-2-yl)methanone;2,5-dimethylcyclohexa-2,5-diene-1,4-dione;2,5-dimethylcyclopenta-2,4-dien-1-one;2,7-dimethylfluoren-9-one;3,6-dimethylfluoren-9-one;[2'-(4-methylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-methylphenyl)methanone
PubChem CID160702361
Molecular FormulaC127H104O10
Molecular Weight1790.22 g/mol
Exact Mass1788.76
IUPAC Name1-(4-acetyl-2,5-dimethylphenyl)ethanone;bis(7-methyl-9H-fluoren-2-yl)methanone;2,5-dimethylcyclohexa-2,5-diene-1,4-dione;2,5-dimethylcyclopenta-2,4-dien-1-one;2,7-dimethylfluoren-9-one;3,6-dimethylfluoren-9-one;[2'-(4-methylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-methylphenyl)methanone
SMILESCC(=O)c1cc(C)c(C(C)=O)cc1C.CC1=CC(=O)C(C)=CC1=O.CC1=CC=C(C)C1=O.Cc1ccc(C(=O)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(C(=O)c4ccc(C)cc4)cc32)cc1.Cc1ccc2c(c1)-c1cc(C)ccc1C2=O.Cc1ccc2c(c1)C(=O)c1cc(C)ccc1-2.Cc1ccc2c(c1)Cc1cc(C(=O)c3ccc4c(c3)Cc3cc(C)ccc3-4)ccc1-2
InChIInChI=1S/C41H28O2.C29H22O.2C15H12O.C12H14O2.C8H8O2.C7H8O/c1-25-11-15-27(16-12-25)39(42)29-19-21-33-31-7-3-5-9-35(31)41(37(33)23-29)36-10-6-4-8-32(36)34-22-20-30(24-38(34)41)40(43)28-17-13-26(2)14-18-28;1-17-3-7-25-21(11-17)15-23-13-19(5-9-27(23)25)29(30)20-6-10-28-24(14-20)16-22-12-18(2)4-8-26(22)28;1-9-3-5-11-13(7-9)14-8-10(2)4-6-12(14)15(11)16;1-9-3-5-11-12-6-4-10(2)8-14(12)15(16)13(11)7-9;1-7-5-12(10(4)14)8(2)6-11(7)9(3)13;1-5-3-8(10)6(2)4-7(5)9;1-5-3-4-6(2)7(5)8/h3-24H,1-2H3;3-14H,15-16H2,1-2H3;2*3-8H,1-2H3;5-6H,1-4H3;3-4H,1-2H3;3-4H,1-2H3
InChIKeyRQUALXUKNIXIDE-UHFFFAOYSA-N
XLogP28.02
TPSA170.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms137
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001790.22
LogP ≤ 528.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

Analyze 1-(4-acetyl-2,5-dimethylphenyl)ethanone;bis(7-methyl-9H-fluoren-2-yl)methanone;2,5-dimethylcyclohexa-2,5-diene-1,4-dione;2,5-dimethylcyclopenta-2,4-dien-1-one;2,7-dimethylfluoren-9-one;3,6-dimethylfluoren-9-one;[2'-(4-methylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-methylphenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-2,5-dimethylphenyl)ethanone;bis(7-methyl-9H-fluoren-2-yl)methanone;2,5-dimethylcyclohexa-2,5-diene-1,4-dione;2,5-dimethylcyclopenta-2,4-dien-1-one;2,7-dimethylfluoren-9-one;3,6-dimethylfluoren-9-one;[2'-(4-methylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-methylphenyl)methanone?
The IUPAC name of 1-(4-acetyl-2,5-dimethylphenyl)ethanone;bis(7-methyl-9H-fluoren-2-yl)methanone;2,5-dimethylcyclohexa-2,5-diene-1,4-dione;2,5-dimethylcyclopenta-2,4-dien-1-one;2,7-dimethylfluoren-9-one;3,6-dimethylfluoren-9-one;[2'-(4-methylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-methylphenyl)methanone (CID 160702361) is 1-(4-acetyl-2,5-dimethylphenyl)ethanone;bis(7-methyl-9H-fluoren-2-yl)methanone;2,5-dimethylcyclohexa-2,5-diene-1,4-dione;2,5-dimethylcyclopenta-2,4-dien-1-one;2,7-dimethylfluoren-9-one;3,6-dimethylfluoren-9-one;[2'-(4-methylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for 1-(4-acetyl-2,5-dimethylphenyl)ethanone;bis(7-methyl-9H-fluoren-2-yl)methanone;2,5-dimethylcyclohexa-2,5-diene-1,4-dione;2,5-dimethylcyclopenta-2,4-dien-1-one;2,7-dimethylfluoren-9-one;3,6-dimethylfluoren-9-one;[2'-(4-methylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-methylphenyl)methanone?
The canonical SMILES for 1-(4-acetyl-2,5-dimethylphenyl)ethanone;bis(7-methyl-9H-fluoren-2-yl)methanone;2,5-dimethylcyclohexa-2,5-diene-1,4-dione;2,5-dimethylcyclopenta-2,4-dien-1-one;2,7-dimethylfluoren-9-one;3,6-dimethylfluoren-9-one;[2'-(4-methylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-methylphenyl)methanone is CC(=O)c1cc(C)c(C(C)=O)cc1C.CC1=CC(=O)C(C)=CC1=O.CC1=CC=C(C)C1=O.Cc1ccc(C(=O)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(C(=O)c4ccc(C)cc4)cc32)cc1.Cc1ccc2c(c1)-c1cc(C)ccc1C2=O.Cc1ccc2c(c1)C(=O)c1cc(C)ccc1-2.Cc1ccc2c(c1)Cc1cc(C(=O)c3ccc4c(c3)Cc3cc(C)ccc3-4)ccc1-2.
What is the InChIKey of 1-(4-acetyl-2,5-dimethylphenyl)ethanone;bis(7-methyl-9H-fluoren-2-yl)methanone;2,5-dimethylcyclohexa-2,5-diene-1,4-dione;2,5-dimethylcyclopenta-2,4-dien-1-one;2,7-dimethylfluoren-9-one;3,6-dimethylfluoren-9-one;[2'-(4-methylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-methylphenyl)methanone?
The InChIKey is RQUALXUKNIXIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28O2.C29H22O.2C15H12O.C12H14O2.C8H8O2.C7H8O/c1-25-11-15-27(16-12-25)39(42)29-19-21-33-31-7-3-5-9-35(31)41(37(33)23-29)36-10-6-4-8-32(36)34-22-20-30(24-38(34)41)40(43)28-17-13-26(2)14-18-28;1-17-3-7-25-21(11-17)15-23-13-19(5-9-27(23)25)29(30)20-6-10-28-24(14-20)16-22-12-18(2)4-8-26(22)28;1-9-3-5-11-13(7-9)14-8-10(2)4-6-12(14)15(11)16;1-9-3-5-11-12-6-4-10(2)8-14(12)15(16)13(11)7-9;1-7-5-12(10(4)14)8(2)6-11(7)9(3)13;1-5-3-8(10)6(2)4-7(5)9;1-5-3-4-6(2)7(5)8/h3-24H,1-2H3;3-14H,15-16H2,1-2H3;2*3-8H,1-2H3;5-6H,1-4H3;3-4H,1-2H3;3-4H,1-2H3.
What are the key properties of 1-(4-acetyl-2,5-dimethylphenyl)ethanone;bis(7-methyl-9H-fluoren-2-yl)methanone;2,5-dimethylcyclohexa-2,5-diene-1,4-dione;2,5-dimethylcyclopenta-2,4-dien-1-one;2,7-dimethylfluoren-9-one;3,6-dimethylfluoren-9-one;[2'-(4-methylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-methylphenyl)methanone?
1-(4-acetyl-2,5-dimethylphenyl)ethanone;bis(7-methyl-9H-fluoren-2-yl)methanone;2,5-dimethylcyclohexa-2,5-diene-1,4-dione;2,5-dimethylcyclopenta-2,4-dien-1-one;2,7-dimethylfluoren-9-one;3,6-dimethylfluoren-9-one;[2'-(4-methylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-methylphenyl)methanone has a molecular weight of 1790.22 g/mol, XLogP of 28.02, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-2,5-dimethylphenyl)ethanone;bis(7-methyl-9H-fluoren-2-yl)methanone;2,5-dimethylcyclohexa-2,5-diene-1,4-dione;2,5-dimethylcyclopenta-2,4-dien-1-one;2,7-dimethylfluoren-9-one;3,6-dimethylfluoren-9-one;[2'-(4-methylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 160702361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).