4-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]dibenzofuran

C42H30O — CID 59195028

IUPAC4-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]dibenzofuran
SMILESCc1ccc2c(-c3cccc4c3oc3ccccc34)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1
InChIInChI=1S/C42H30O/c1-25-22-23-29-34(24-25)39(32-17-11-20-36-40(32)31-15-6-8-19-35(31)42(36,2)3)28-14-5-4-13-27(28)38(29)33-18-10-16-30-26-12-7-9-21-37(26)43-41(30)33/h4-24H,1-3H3
InChIKeyDLSYTGKHCTUFML-UHFFFAOYSA-N
MW550.70 g/mol
LogP11.84
Rot. Bonds2

About 4-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]dibenzofuran

4-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]dibenzofuran (PubChem CID 59195028) has the molecular formula C42H30O and a molecular weight of 550.70 g/mol. Its IUPAC name is 4-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name4-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]dibenzofuran
PubChem CID59195028
Molecular FormulaC42H30O
Molecular Weight550.70 g/mol
Exact Mass550.23
IUPAC Name4-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]dibenzofuran
SMILESCc1ccc2c(-c3cccc4c3oc3ccccc34)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1
InChIInChI=1S/C42H30O/c1-25-22-23-29-34(24-25)39(32-17-11-20-36-40(32)31-15-6-8-19-35(31)42(36,2)3)28-14-5-4-13-27(28)38(29)33-18-10-16-30-26-12-7-9-21-37(26)43-41(30)33/h4-24H,1-3H3
InChIKeyDLSYTGKHCTUFML-UHFFFAOYSA-N
XLogP11.84
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.70
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran
CID 59195065
2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(9,9-dimethylfluoren-4-yl)anthracene
CID 160748906
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene
CID 59196543
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195621
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59195200
2,4-di(dibenzofuran-4-yl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazine
CID 167349594
17-(9,9-dimethylfluoren-4-yl)-1-methyl-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene
CID 163533691
4-[10-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 121421254
4-[10-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 121421279
3-methyldibenzofuran;3,4,9,9-tetramethylfluorene
CID 162362619
9-(9,9-dimethylfluoren-4-yl)-10-(3,4-diphenylphenyl)-2-methylanthracene
CID 59195127
10-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]phenoxazine
CID 59196124

Frequently Asked Questions

What is the IUPAC name of 4-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]dibenzofuran?
The IUPAC name of 4-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]dibenzofuran (CID 59195028) is 4-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]dibenzofuran.
What is the SMILES notation for 4-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]dibenzofuran?
The canonical SMILES for 4-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]dibenzofuran is Cc1ccc2c(-c3cccc4c3oc3ccccc34)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1.
What is the InChIKey of 4-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]dibenzofuran?
The InChIKey is DLSYTGKHCTUFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30O/c1-25-22-23-29-34(24-25)39(32-17-11-20-36-40(32)31-15-6-8-19-35(31)42(36,2)3)28-14-5-4-13-27(28)38(29)33-18-10-16-30-26-12-7-9-21-37(26)43-41(30)33/h4-24H,1-3H3.
What are the key properties of 4-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]dibenzofuran?
4-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]dibenzofuran has a molecular weight of 550.70 g/mol, XLogP of 11.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]dibenzofuran is sourced from PubChem (CID 59195028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).