9-(9,9-dimethylfluoren-4-yl)-10-(4-fluorophenyl)-2-naphthalen-2-ylanthracene

C45H31F — CID 59195494

IUPAC9-(9,9-dimethylfluoren-4-yl)-10-(4-fluorophenyl)-2-naphthalen-2-ylanthracene
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc(F)cc4)c4ccc(-c5ccc6ccccc6c5)cc34)cccc21
InChIInChI=1S/C45H31F/c1-45(2)40-16-8-7-14-37(40)44-38(15-9-17-41(44)45)43-35-13-6-5-12-34(35)42(29-20-23-33(46)24-21-29)36-25-22-32(27-39(36)43)31-19-18-28-10-3-4-11-30(28)26-31/h3-27H,1-2H3
InChIKeyDOCNHDMQEZPIMU-UHFFFAOYSA-N
MW590.74 g/mol
LogP12.59
Rot. Bonds3

About 9-(9,9-dimethylfluoren-4-yl)-10-(4-fluorophenyl)-2-naphthalen-2-ylanthracene

9-(9,9-dimethylfluoren-4-yl)-10-(4-fluorophenyl)-2-naphthalen-2-ylanthracene (PubChem CID 59195494) has the molecular formula C45H31F and a molecular weight of 590.74 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-4-yl)-10-(4-fluorophenyl)-2-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-4-yl)-10-(4-fluorophenyl)-2-naphthalen-2-ylanthracene
PubChem CID59195494
Molecular FormulaC45H31F
Molecular Weight590.74 g/mol
Exact Mass590.24
IUPAC Name9-(9,9-dimethylfluoren-4-yl)-10-(4-fluorophenyl)-2-naphthalen-2-ylanthracene
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc(F)cc4)c4ccc(-c5ccc6ccccc6c5)cc34)cccc21
InChIInChI=1S/C45H31F/c1-45(2)40-16-8-7-14-37(40)44-38(15-9-17-41(44)45)43-35-13-6-5-12-34(35)42(29-20-23-33(46)24-21-29)36-25-22-32(27-39(36)43)31-19-18-28-10-3-4-11-30(28)26-31/h3-27H,1-2H3
InChIKeyDOCNHDMQEZPIMU-UHFFFAOYSA-N
XLogP12.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.74
LogP ≤ 512.59
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-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59196441
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-2-ylanthracene
CID 59195049
9-(9,9-dimethylfluoren-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 59196370
3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]perylene
CID 59194702
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-1-yl-10-(2-naphthalen-2-ylphenyl)anthracene
CID 59194727
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene
CID 59195164
2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]spiro[1,3-dihydroindene-2,9'-fluorene]
CID 59196344
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 59196621
5-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]-10-methylphenazine
CID 59195181
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
CID 58323304
2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 143930053
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59195124

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-4-yl)-10-(4-fluorophenyl)-2-naphthalen-2-ylanthracene?
The IUPAC name of 9-(9,9-dimethylfluoren-4-yl)-10-(4-fluorophenyl)-2-naphthalen-2-ylanthracene (CID 59195494) is 9-(9,9-dimethylfluoren-4-yl)-10-(4-fluorophenyl)-2-naphthalen-2-ylanthracene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-4-yl)-10-(4-fluorophenyl)-2-naphthalen-2-ylanthracene?
The canonical SMILES for 9-(9,9-dimethylfluoren-4-yl)-10-(4-fluorophenyl)-2-naphthalen-2-ylanthracene is CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc(F)cc4)c4ccc(-c5ccc6ccccc6c5)cc34)cccc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-4-yl)-10-(4-fluorophenyl)-2-naphthalen-2-ylanthracene?
The InChIKey is DOCNHDMQEZPIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31F/c1-45(2)40-16-8-7-14-37(40)44-38(15-9-17-41(44)45)43-35-13-6-5-12-34(35)42(29-20-23-33(46)24-21-29)36-25-22-32(27-39(36)43)31-19-18-28-10-3-4-11-30(28)26-31/h3-27H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-4-yl)-10-(4-fluorophenyl)-2-naphthalen-2-ylanthracene?
9-(9,9-dimethylfluoren-4-yl)-10-(4-fluorophenyl)-2-naphthalen-2-ylanthracene has a molecular weight of 590.74 g/mol, XLogP of 12.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-4-yl)-10-(4-fluorophenyl)-2-naphthalen-2-ylanthracene is sourced from PubChem (CID 59195494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).