5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene

C39H27F — CID 88549809

IUPAC5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
SMILESCC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3ccc(F)cc3)c3ccccc13)c1ccccc21
InChIInChI=1S/C39H27F/c1-39(2)34-18-10-9-17-32(34)38-27-12-4-3-11-26(27)33(23-35(38)39)37-30-15-7-5-13-28(30)36(24-19-21-25(40)22-20-24)29-14-6-8-16-31(29)37/h3-23H,1-2H3
InChIKeyKVZZHBPSVBKKDD-UHFFFAOYSA-N
MW514.64 g/mol
LogP10.93
Rot. Bonds2

About 5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene

5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene (PubChem CID 88549809) has the molecular formula C39H27F and a molecular weight of 514.64 g/mol. Its IUPAC name is 5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene.

Molecular Properties

Compound Name5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
PubChem CID88549809
Molecular FormulaC39H27F
Molecular Weight514.64 g/mol
Exact Mass514.21
IUPAC Name5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
SMILESCC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3ccc(F)cc3)c3ccccc13)c1ccccc21
InChIInChI=1S/C39H27F/c1-39(2)34-18-10-9-17-32(34)38-27-12-4-3-11-26(27)33(23-35(38)39)37-30-15-7-5-13-28(30)36(24-19-21-25(40)22-20-24)29-14-6-8-16-31(29)37/h3-23H,1-2H3
InChIKeyKVZZHBPSVBKKDD-UHFFFAOYSA-N
XLogP10.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.64
LogP ≤ 510.93
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

5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 123566390
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 91114293
[4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-phenylmethanone
CID 88549557
24,31-bis(4-fluorophenyl)-9,9,18,18,35,35-hexamethylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29,31,33-hexadecaene
CID 88998717
9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20821966
9-(9,9-dimethylfluoren-4-yl)-10-(4-fluorophenyl)-2-naphthalen-2-ylanthracene
CID 59195494
7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 123260279
7,7-dimethyl-5-(2-phenanthren-9-yl-10-phenylanthracen-9-yl)benzo[c]fluorene
CID 90769656
19-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 140724618
[4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-phenylmethanone
CID 89024086
7,7-dimethyl-5-[10-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]anthracen-9-yl]benzo[c]fluorene
CID 123322545
6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene
CID 159679931

Frequently Asked Questions

What is the IUPAC name of 5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene?
The IUPAC name of 5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene (CID 88549809) is 5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene.
What is the SMILES notation for 5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene?
The canonical SMILES for 5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene is CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3ccc(F)cc3)c3ccccc13)c1ccccc21.
What is the InChIKey of 5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene?
The InChIKey is KVZZHBPSVBKKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27F/c1-39(2)34-18-10-9-17-32(34)38-27-12-4-3-11-26(27)33(23-35(38)39)37-30-15-7-5-13-28(30)36(24-19-21-25(40)22-20-24)29-14-6-8-16-31(29)37/h3-23H,1-2H3.
What are the key properties of 5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene?
5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene has a molecular weight of 514.64 g/mol, XLogP of 10.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene is sourced from PubChem (CID 88549809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).