bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone

C49H42O — CID 58922078

IUPACbis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(C(=O)c2ccc4c(c2)C(C)(C)c2cc5c(cc2-4)C(C)(C)c2ccccc2-5)cc1C3(C)C
InChIInChI=1S/C49H42O/c1-46(2)37-15-11-9-13-29(37)33-23-43-35(25-41(33)46)31-19-17-27(21-39(31)48(43,5)6)45(50)28-18-20-32-36-26-42-34(24-44(36)49(7,8)40(32)22-28)30-14-10-12-16-38(30)47(42,3)4/h9-26H,1-8H3
InChIKeyOCOOPODCYBUMFO-UHFFFAOYSA-N
MW646.87 g/mol
LogP12.14
Rot. Bonds2

About bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone

bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone (PubChem CID 58922078) has the molecular formula C49H42O and a molecular weight of 646.87 g/mol. Its IUPAC name is bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone.

Molecular Properties

Compound Namebis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone
PubChem CID58922078
Molecular FormulaC49H42O
Molecular Weight646.87 g/mol
Exact Mass646.32
IUPAC Namebis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(C(=O)c2ccc4c(c2)C(C)(C)c2cc5c(cc2-4)C(C)(C)c2ccccc2-5)cc1C3(C)C
InChIInChI=1S/C49H42O/c1-46(2)37-15-11-9-13-29(37)33-23-43-35(25-41(33)46)31-19-17-27(21-39(31)48(43,5)6)45(50)28-18-20-32-36-26-42-34(24-44(36)49(7,8)40(32)22-28)30-14-10-12-16-38(30)47(42,3)4/h9-26H,1-8H3
InChIKeyOCOOPODCYBUMFO-UHFFFAOYSA-N
XLogP12.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.87
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

naphthalen-2-yl-[6,6,12,12-tetramethyl-2-(naphthalene-2-carbonyl)indeno[1,2-b]fluoren-8-yl]methanone
CID 59801074
1-(9,9-dimethylfluoren-2-yl)-N-methylethanimine
CID 123301192
[7'-(9,9-dimethylfluorene-2-carbonyl)-2-methyl-7-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]-(9,9-dimethylfluoren-2-yl)methanone;toluene
CID 143585216
9,9-dimethylfluoren-2-amine;sulfane
CID 142283327
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
(9,9-dimethylfluoren-2-yl)-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171939533
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2-[(1E,3E,5Z)-1-iodohepta-1,3,5-trien-4-yl]-9,9-dimethylfluorene
CID 89161500
[4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-phenylmethanone
CID 88549557

Frequently Asked Questions

What is the IUPAC name of bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone?
The IUPAC name of bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone (CID 58922078) is bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone.
What is the SMILES notation for bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone?
The canonical SMILES for bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone is CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(C(=O)c2ccc4c(c2)C(C)(C)c2cc5c(cc2-4)C(C)(C)c2ccccc2-5)cc1C3(C)C.
What is the InChIKey of bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone?
The InChIKey is OCOOPODCYBUMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H42O/c1-46(2)37-15-11-9-13-29(37)33-23-43-35(25-41(33)46)31-19-17-27(21-39(31)48(43,5)6)45(50)28-18-20-32-36-26-42-34(24-44(36)49(7,8)40(32)22-28)30-14-10-12-16-38(30)47(42,3)4/h9-26H,1-8H3.
What are the key properties of bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone?
bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone has a molecular weight of 646.87 g/mol, XLogP of 12.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone is sourced from PubChem (CID 58922078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).