9-[9,9-bis(2-ethylhexyl)fluoren-2-yl]anthracene

C43H50 — CID 101402218

IUPAC9-[9,9-bis(2-ethylhexyl)fluoren-2-yl]anthracene
SMILESCCCCC(CC)CC1(CC(CC)CCCC)c2ccccc2-c2ccc(-c3c4ccccc4cc4ccccc34)cc21
InChIInChI=1S/C43H50/c1-5-9-17-31(7-3)29-43(30-32(8-4)18-10-6-2)40-24-16-15-23-38(40)39-26-25-35(28-41(39)43)42-36-21-13-11-19-33(36)27-34-20-12-14-22-37(34)42/h11-16,19-28,31-32H,5-10,17-18,29-30H2,1-4H3
InChIKeyUEHQUHRVOFHRAR-UHFFFAOYSA-N
MW566.87 g/mol
LogP13.14
Rot. Bonds13

About 9-[9,9-bis(2-ethylhexyl)fluoren-2-yl]anthracene

9-[9,9-bis(2-ethylhexyl)fluoren-2-yl]anthracene (PubChem CID 101402218) has the molecular formula C43H50 and a molecular weight of 566.87 g/mol. Its IUPAC name is 9-[9,9-bis(2-ethylhexyl)fluoren-2-yl]anthracene.

Molecular Properties

Compound Name9-[9,9-bis(2-ethylhexyl)fluoren-2-yl]anthracene
PubChem CID101402218
Molecular FormulaC43H50
Molecular Weight566.87 g/mol
Exact Mass566.39
IUPAC Name9-[9,9-bis(2-ethylhexyl)fluoren-2-yl]anthracene
SMILESCCCCC(CC)CC1(CC(CC)CCCC)c2ccccc2-c2ccc(-c3c4ccccc4cc4ccccc34)cc21
InChIInChI=1S/C43H50/c1-5-9-17-31(7-3)29-43(30-32(8-4)18-10-6-2)40-24-16-15-23-38(40)39-26-25-35(28-41(39)43)42-36-21-13-11-19-33(36)27-34-20-12-14-22-37(34)42/h11-16,19-28,31-32H,5-10,17-18,29-30H2,1-4H3
InChIKeyUEHQUHRVOFHRAR-UHFFFAOYSA-N
XLogP13.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.87
LogP ≤ 513.14
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

2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene
CID 101111092
9-(9,9-dihexylfluoren-2-yl)anthracene
CID 71619170
2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene
CID 101479733
2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene
CID 101479734
9-ethyl-3-[7-(9-ethylcarbazol-3-yl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]carbazole
CID 101417664
2,4,6-tris[4-[(E)-2-[9,9-bis(2-ethylhexyl)fluoren-2-yl]ethenyl]phenyl]-1,3,5-triazine
CID 102358497
2,7-bis(4-bromophenyl)-9,9-bis(2-ethylhexyl)fluorene
CID 86093242
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
[4-[7-(4-benzoylphenyl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-phenylmethanone
CID 71131328
9-(9,9-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene
CID 91416934
4-[7-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]-7-methyl-2,1,3-benzothiadiazole
CID 23568231
3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]-10-[7-[7-[9,9-bis(2-methylbutyl)-7-[3-(3-methylphenyl)propyl]fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]perylene
CID 58876415

Frequently Asked Questions

What is the IUPAC name of 9-[9,9-bis(2-ethylhexyl)fluoren-2-yl]anthracene?
The IUPAC name of 9-[9,9-bis(2-ethylhexyl)fluoren-2-yl]anthracene (CID 101402218) is 9-[9,9-bis(2-ethylhexyl)fluoren-2-yl]anthracene.
What is the SMILES notation for 9-[9,9-bis(2-ethylhexyl)fluoren-2-yl]anthracene?
The canonical SMILES for 9-[9,9-bis(2-ethylhexyl)fluoren-2-yl]anthracene is CCCCC(CC)CC1(CC(CC)CCCC)c2ccccc2-c2ccc(-c3c4ccccc4cc4ccccc34)cc21.
What is the InChIKey of 9-[9,9-bis(2-ethylhexyl)fluoren-2-yl]anthracene?
The InChIKey is UEHQUHRVOFHRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H50/c1-5-9-17-31(7-3)29-43(30-32(8-4)18-10-6-2)40-24-16-15-23-38(40)39-26-25-35(28-41(39)43)42-36-21-13-11-19-33(36)27-34-20-12-14-22-37(34)42/h11-16,19-28,31-32H,5-10,17-18,29-30H2,1-4H3.
What are the key properties of 9-[9,9-bis(2-ethylhexyl)fluoren-2-yl]anthracene?
9-[9,9-bis(2-ethylhexyl)fluoren-2-yl]anthracene has a molecular weight of 566.87 g/mol, XLogP of 13.14, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9,9-bis(2-ethylhexyl)fluoren-2-yl]anthracene is sourced from PubChem (CID 101402218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).