2-[10-(9,9-dimethylfluoren-2-yl)-1,4,4a,9a-tetrahydroanthracen-9-yl]dibenzofuran

C41H32O — CID 130240454

IUPAC2-[10-(9,9-dimethylfluoren-2-yl)-1,4,4a,9a-tetrahydroanthracen-9-yl]dibenzofuran
SMILESCC1(C)c2ccccc2-c2ccc(C3=c4ccccc4=C(c4ccc5oc6ccccc6c5c4)C4CC=CCC34)cc21
InChIInChI=1S/C41H32O/c1-41(2)35-17-9-7-11-27(35)28-21-19-26(24-36(28)41)40-32-15-5-3-13-30(32)39(31-14-4-6-16-33(31)40)25-20-22-38-34(23-25)29-12-8-10-18-37(29)42-38/h3-13,15,17-24,31,33H,14,16H2,1-2H3
InChIKeyXOZWMGMWKVXKRP-UHFFFAOYSA-N
MW540.71 g/mol
LogP8.89
Rot. Bonds2

About 2-[10-(9,9-dimethylfluoren-2-yl)-1,4,4a,9a-tetrahydroanthracen-9-yl]dibenzofuran

2-[10-(9,9-dimethylfluoren-2-yl)-1,4,4a,9a-tetrahydroanthracen-9-yl]dibenzofuran (PubChem CID 130240454) has the molecular formula C41H32O and a molecular weight of 540.71 g/mol. Its IUPAC name is 2-[10-(9,9-dimethylfluoren-2-yl)-1,4,4a,9a-tetrahydroanthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name2-[10-(9,9-dimethylfluoren-2-yl)-1,4,4a,9a-tetrahydroanthracen-9-yl]dibenzofuran
PubChem CID130240454
Molecular FormulaC41H32O
Molecular Weight540.71 g/mol
Exact Mass540.25
IUPAC Name2-[10-(9,9-dimethylfluoren-2-yl)-1,4,4a,9a-tetrahydroanthracen-9-yl]dibenzofuran
SMILESCC1(C)c2ccccc2-c2ccc(C3=c4ccccc4=C(c4ccc5oc6ccccc6c5c4)C4CC=CCC34)cc21
InChIInChI=1S/C41H32O/c1-41(2)35-17-9-7-11-27(35)28-21-19-26(24-36(28)41)40-32-15-5-3-13-30(32)39(31-14-4-6-16-33(31)40)25-20-22-38-34(23-25)29-12-8-10-18-37(29)42-38/h3-13,15,17-24,31,33H,14,16H2,1-2H3
InChIKeyXOZWMGMWKVXKRP-UHFFFAOYSA-N
XLogP8.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.71
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[10-(9,9-dimethylfluoren-2-yl)-1,4,4a,9a-tetrahydroanthracen-9-yl]dibenzofuran with MolForge

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122427406
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
CID 59194951
4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
CID 67964226
2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran
CID 59195828
2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59196306
2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907338
7-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;7-dibenzofuran-3-yl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 160626252
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328
2-dibenzofuran-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 146247470

Frequently Asked Questions

What is the IUPAC name of 2-[10-(9,9-dimethylfluoren-2-yl)-1,4,4a,9a-tetrahydroanthracen-9-yl]dibenzofuran?
The IUPAC name of 2-[10-(9,9-dimethylfluoren-2-yl)-1,4,4a,9a-tetrahydroanthracen-9-yl]dibenzofuran (CID 130240454) is 2-[10-(9,9-dimethylfluoren-2-yl)-1,4,4a,9a-tetrahydroanthracen-9-yl]dibenzofuran.
What is the SMILES notation for 2-[10-(9,9-dimethylfluoren-2-yl)-1,4,4a,9a-tetrahydroanthracen-9-yl]dibenzofuran?
The canonical SMILES for 2-[10-(9,9-dimethylfluoren-2-yl)-1,4,4a,9a-tetrahydroanthracen-9-yl]dibenzofuran is CC1(C)c2ccccc2-c2ccc(C3=c4ccccc4=C(c4ccc5oc6ccccc6c5c4)C4CC=CCC34)cc21.
What is the InChIKey of 2-[10-(9,9-dimethylfluoren-2-yl)-1,4,4a,9a-tetrahydroanthracen-9-yl]dibenzofuran?
The InChIKey is XOZWMGMWKVXKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32O/c1-41(2)35-17-9-7-11-27(35)28-21-19-26(24-36(28)41)40-32-15-5-3-13-30(32)39(31-14-4-6-16-33(31)40)25-20-22-38-34(23-25)29-12-8-10-18-37(29)42-38/h3-13,15,17-24,31,33H,14,16H2,1-2H3.
What are the key properties of 2-[10-(9,9-dimethylfluoren-2-yl)-1,4,4a,9a-tetrahydroanthracen-9-yl]dibenzofuran?
2-[10-(9,9-dimethylfluoren-2-yl)-1,4,4a,9a-tetrahydroanthracen-9-yl]dibenzofuran has a molecular weight of 540.71 g/mol, XLogP of 8.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(9,9-dimethylfluoren-2-yl)-1,4,4a,9a-tetrahydroanthracen-9-yl]dibenzofuran is sourced from PubChem (CID 130240454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).