2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran

C47H32O — CID 59195200

IUPAC2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccc(-c5ccccc5)cc34)cccc21
InChIInChI=1S/C47H32O/c1-47(2)40-20-10-8-18-36(40)46-37(19-12-21-41(46)47)45-34-17-7-6-16-33(34)44(35-25-23-30(27-39(35)45)29-13-4-3-5-14-29)31-24-26-43-38(28-31)32-15-9-11-22-42(32)48-43/h3-28H,1-2H3
InChIKeyULQGVRVCAPRQKT-UHFFFAOYSA-N
MW612.77 g/mol
LogP13.20
Rot. Bonds3

About 2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran

2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran (PubChem CID 59195200) has the molecular formula C47H32O and a molecular weight of 612.77 g/mol. Its IUPAC name is 2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran
PubChem CID59195200
Molecular FormulaC47H32O
Molecular Weight612.77 g/mol
Exact Mass612.25
IUPAC Name2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccc(-c5ccccc5)cc34)cccc21
InChIInChI=1S/C47H32O/c1-47(2)40-20-10-8-18-36(40)46-37(19-12-21-41(46)47)45-34-17-7-6-16-33(34)44(35-25-23-30(27-39(35)45)29-13-4-3-5-14-29)31-24-26-43-38(28-31)32-15-9-11-22-42(32)48-43/h3-28H,1-2H3
InChIKeyULQGVRVCAPRQKT-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-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59196306
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;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
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
CID 59194951
2-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;7,7-dimethyl-11-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 157414315
2-[3-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 159493437
1-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]dibenzofuran
CID 59196193
2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran
CID 59195828
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719
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
1-[8-dibenzofuran-1-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran
CID 159724531
14,14-dimethyl-5-(10-phenylanthracen-9-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 170374658

Frequently Asked Questions

What is the IUPAC name of 2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran?
The IUPAC name of 2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran (CID 59195200) is 2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran.
What is the SMILES notation for 2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran?
The canonical SMILES for 2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran is CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccc(-c5ccccc5)cc34)cccc21.
What is the InChIKey of 2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran?
The InChIKey is ULQGVRVCAPRQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32O/c1-47(2)40-20-10-8-18-36(40)46-37(19-12-21-41(46)47)45-34-17-7-6-16-33(34)44(35-25-23-30(27-39(35)45)29-13-4-3-5-14-29)31-24-26-43-38(28-31)32-15-9-11-22-42(32)48-43/h3-28H,1-2H3.
What are the key properties of 2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran?
2-[10-(9,9-dimethylfluoren-4-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-4-yl)-3-phenylanthracen-9-yl]dibenzofuran is sourced from PubChem (CID 59195200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).