3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene

C53H34 — CID 166019404

IUPAC3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)cc21
InChIInChI=1S/C53H34/c1-53(2)49-20-8-7-15-41(49)42-22-21-31(30-50(42)53)32-27-33(35-23-25-47-39-13-5-3-11-37(39)45-18-9-16-43(35)51(45)47)29-34(28-32)36-24-26-48-40-14-6-4-12-38(40)46-19-10-17-44(36)52(46)48/h3-30H,1-2H3
InChIKeyGDSKYRITZBLMFS-UHFFFAOYSA-N
MW670.86 g/mol
LogP14.60
Rot. Bonds3

About 3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene

3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene (PubChem CID 166019404) has the molecular formula C53H34 and a molecular weight of 670.86 g/mol. Its IUPAC name is 3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene.

Molecular Properties

Compound Name3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene
PubChem CID166019404
Molecular FormulaC53H34
Molecular Weight670.86 g/mol
Exact Mass670.27
IUPAC Name3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)cc21
InChIInChI=1S/C53H34/c1-53(2)49-20-8-7-15-41(49)42-22-21-31(30-50(42)53)32-27-33(35-23-25-47-39-13-5-3-11-37(39)45-18-9-16-43(35)51(45)47)29-34(28-32)36-24-26-48-40-14-6-4-12-38(40)46-19-10-17-44(36)52(46)48/h3-30H,1-2H3
InChIKeyGDSKYRITZBLMFS-UHFFFAOYSA-N
XLogP14.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.86
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-5-phenylphenyl]fluoranthene
CID 58569427
3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene
CID 58569056
3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene
CID 58569042
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene
CID 123377158
9-tert-butyl-3-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]fluoranthene
CID 123539490
3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569433
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene
CID 123260032
3-[3-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569543
N-(9,9-dimethylfluoren-2-yl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 139498854

Frequently Asked Questions

What is the IUPAC name of 3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene?
The IUPAC name of 3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene (CID 166019404) is 3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene.
What is the SMILES notation for 3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene?
The canonical SMILES for 3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)cc21.
What is the InChIKey of 3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene?
The InChIKey is GDSKYRITZBLMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34/c1-53(2)49-20-8-7-15-41(49)42-22-21-31(30-50(42)53)32-27-33(35-23-25-47-39-13-5-3-11-37(39)45-18-9-16-43(35)51(45)47)29-34(28-32)36-24-26-48-40-14-6-4-12-38(40)46-19-10-17-44(36)52(46)48/h3-30H,1-2H3.
What are the key properties of 3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene?
3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene has a molecular weight of 670.86 g/mol, XLogP of 14.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene is sourced from PubChem (CID 166019404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).