9-(9,9-dihexylfluoren-2-yl)anthracene

C39H42 — CID 71619170

IUPAC9-(9,9-dihexylfluoren-2-yl)anthracene
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3c4ccccc4cc4ccccc34)cc21
InChIInChI=1S/C39H42/c1-3-5-7-15-25-39(26-16-8-6-4-2)36-22-14-13-21-34(36)35-24-23-31(28-37(35)39)38-32-19-11-9-17-29(32)27-30-18-10-12-20-33(30)38/h9-14,17-24,27-28H,3-8,15-16,25-26H2,1-2H3
InChIKeyPLIHUHBEXBYFJW-UHFFFAOYSA-N
MW510.77 g/mol
LogP11.87
Rot. Bonds11

About 9-(9,9-dihexylfluoren-2-yl)anthracene

9-(9,9-dihexylfluoren-2-yl)anthracene (PubChem CID 71619170) has the molecular formula C39H42 and a molecular weight of 510.77 g/mol. Its IUPAC name is 9-(9,9-dihexylfluoren-2-yl)anthracene.

Molecular Properties

Compound Name9-(9,9-dihexylfluoren-2-yl)anthracene
PubChem CID71619170
Molecular FormulaC39H42
Molecular Weight510.77 g/mol
Exact Mass510.33
IUPAC Name9-(9,9-dihexylfluoren-2-yl)anthracene
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3c4ccccc4cc4ccccc34)cc21
InChIInChI=1S/C39H42/c1-3-5-7-15-25-39(26-16-8-6-4-2)36-22-14-13-21-34(36)35-24-23-31(28-37(35)39)38-32-19-11-9-17-29(32)27-30-18-10-12-20-33(30)38/h9-14,17-24,27-28H,3-8,15-16,25-26H2,1-2H3
InChIKeyPLIHUHBEXBYFJW-UHFFFAOYSA-N
XLogP11.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.77
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
carbanide;1-(9,9-dihexylfluoren-2-yl)naphthalen-2-ol;titanium(3+)
CID 59270127
9-(9,9-dimethylfluoren-2-yl)-10-[10-(9,9-dipentylfluoren-2-yl)anthracen-9-yl]anthracene
CID 58782718
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
9-[9,9-bis(2-ethylhexyl)fluoren-2-yl]anthracene
CID 101402218
9-(9,9-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene
CID 91416934
6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
CID 101479425
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
7,7-dioctylbenzo[c]fluorene
CID 59595496
2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene
CID 102433648
9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene
CID 102433644
4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol
CID 102433647

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dihexylfluoren-2-yl)anthracene?
The IUPAC name of 9-(9,9-dihexylfluoren-2-yl)anthracene (CID 71619170) is 9-(9,9-dihexylfluoren-2-yl)anthracene.
What is the SMILES notation for 9-(9,9-dihexylfluoren-2-yl)anthracene?
The canonical SMILES for 9-(9,9-dihexylfluoren-2-yl)anthracene is CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3c4ccccc4cc4ccccc34)cc21.
What is the InChIKey of 9-(9,9-dihexylfluoren-2-yl)anthracene?
The InChIKey is PLIHUHBEXBYFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42/c1-3-5-7-15-25-39(26-16-8-6-4-2)36-22-14-13-21-34(36)35-24-23-31(28-37(35)39)38-32-19-11-9-17-29(32)27-30-18-10-12-20-33(30)38/h9-14,17-24,27-28H,3-8,15-16,25-26H2,1-2H3.
What are the key properties of 9-(9,9-dihexylfluoren-2-yl)anthracene?
9-(9,9-dihexylfluoren-2-yl)anthracene has a molecular weight of 510.77 g/mol, XLogP of 11.87, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dihexylfluoren-2-yl)anthracene is sourced from PubChem (CID 71619170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).