2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran

C47H32O — CID 59196306

IUPAC2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccc(-c5ccccc5)cc34)cc21
InChIInChI=1S/C47H32O/c1-47(2)41-18-10-8-14-33(41)34-23-21-32(28-42(34)47)46-37-17-7-6-16-36(37)45(38-24-20-30(26-40(38)46)29-12-4-3-5-13-29)31-22-25-44-39(27-31)35-15-9-11-19-43(35)48-44/h3-28H,1-2H3
InChIKeyQLUCEQYXLFPJQC-UHFFFAOYSA-N
MW612.77 g/mol
LogP13.20
Rot. Bonds3

About 2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran

2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran (PubChem CID 59196306) has the molecular formula C47H32O and a molecular weight of 612.77 g/mol. Its IUPAC name is 2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran
PubChem CID59196306
Molecular FormulaC47H32O
Molecular Weight612.77 g/mol
Exact Mass612.25
IUPAC Name2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccc(-c5ccccc5)cc34)cc21
InChIInChI=1S/C47H32O/c1-47(2)41-18-10-8-14-33(41)34-23-21-32(28-42(34)47)46-37-17-7-6-16-36(37)45(38-24-20-30(26-40(38)46)29-12-4-3-5-13-29)31-22-25-44-39(27-31)35-15-9-11-19-43(35)48-44/h3-28H,1-2H3
InChIKeyQLUCEQYXLFPJQC-UHFFFAOYSA-N
XLogP13.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.77
LogP ≤ 513.20
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

2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
CID 59194951
2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran
CID 163945775
2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran
CID 59195828
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-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59195200
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-2-phenylanthracene;2,10-dinaphthalen-1-yl-9-naphthalen-2-ylanthracene;2-naphthalen-1-yl-9,10-dinaphthalen-2-ylanthracene;2-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)dibenzofuran
CID 160716890
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328
4-dibenzofuran-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzofuran
CID 158249190
9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 161035826
2-[10-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 144583239

Frequently Asked Questions

What is the IUPAC name of 2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran?
The IUPAC name of 2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran (CID 59196306) is 2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran.
What is the SMILES notation for 2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran?
The canonical SMILES for 2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccc(-c5ccccc5)cc34)cc21.
What is the InChIKey of 2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran?
The InChIKey is QLUCEQYXLFPJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32O/c1-47(2)41-18-10-8-14-33(41)34-23-21-32(28-42(34)47)46-37-17-7-6-16-36(37)45(38-24-20-30(26-40(38)46)29-12-4-3-5-13-29)31-22-25-44-39(27-31)35-15-9-11-19-43(35)48-44/h3-28H,1-2H3.
What are the key properties of 2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran?
2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran has a molecular weight of 612.77 g/mol, XLogP of 13.20, 3 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)-3-phenylanthracen-9-yl]dibenzofuran is sourced from PubChem (CID 59196306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).