9-(9,9-dimethylfluoren-2-yl)-10-(3-fluorophenyl)anthracene

C35H25F — CID 20822374

IUPAC9-(9,9-dimethylfluoren-2-yl)-10-(3-fluorophenyl)anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc(F)c4)c4ccccc34)cc21
InChIInChI=1S/C35H25F/c1-35(2)31-17-8-7-12-25(31)26-19-18-23(21-32(26)35)34-29-15-5-3-13-27(29)33(22-10-9-11-24(36)20-22)28-14-4-6-16-30(28)34/h3-21H,1-2H3
InChIKeyPLJMAWXRAOLMPE-UHFFFAOYSA-N
MW464.58 g/mol
LogP9.77
Rot. Bonds2

About 9-(9,9-dimethylfluoren-2-yl)-10-(3-fluorophenyl)anthracene

9-(9,9-dimethylfluoren-2-yl)-10-(3-fluorophenyl)anthracene (PubChem CID 20822374) has the molecular formula C35H25F and a molecular weight of 464.58 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-10-(3-fluorophenyl)anthracene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-10-(3-fluorophenyl)anthracene
PubChem CID20822374
Molecular FormulaC35H25F
Molecular Weight464.58 g/mol
Exact Mass464.19
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-10-(3-fluorophenyl)anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc(F)c4)c4ccccc34)cc21
InChIInChI=1S/C35H25F/c1-35(2)31-17-8-7-12-25(31)26-19-18-23(21-32(26)35)34-29-15-5-3-13-27(29)33(22-10-9-11-24(36)20-22)28-14-4-6-16-30(28)34/h3-21H,1-2H3
InChIKeyPLJMAWXRAOLMPE-UHFFFAOYSA-N
XLogP9.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.58
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20821966
9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-4-phenylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-1-phenylanthracene
CID 20822392
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine
CID 130355500
9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene
CID 20822196
9,9,14,14-tetramethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158811180
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 91114293

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-(3-fluorophenyl)anthracene?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-(3-fluorophenyl)anthracene (CID 20822374) is 9-(9,9-dimethylfluoren-2-yl)-10-(3-fluorophenyl)anthracene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-10-(3-fluorophenyl)anthracene?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-10-(3-fluorophenyl)anthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc(F)c4)c4ccccc34)cc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-10-(3-fluorophenyl)anthracene?
The InChIKey is PLJMAWXRAOLMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25F/c1-35(2)31-17-8-7-12-25(31)26-19-18-23(21-32(26)35)34-29-15-5-3-13-27(29)33(22-10-9-11-24(36)20-22)28-14-4-6-16-30(28)34/h3-21H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-10-(3-fluorophenyl)anthracene?
9-(9,9-dimethylfluoren-2-yl)-10-(3-fluorophenyl)anthracene has a molecular weight of 464.58 g/mol, XLogP of 9.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)-10-(3-fluorophenyl)anthracene is sourced from PubChem (CID 20822374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).