dilithium;9,9-diheptyl-2,7-dihydrofluorene-2,7-diide

C27H36Li2 — CID 59600006

IUPACdilithium;9,9-diheptyl-2,7-dihydrofluorene-2,7-diide
SMILESCCCCCCCC1(CCCCCCC)c2c[c-]ccc2-c2cc[c-]cc21.[Li+].[Li+]
InChIInChI=1S/C27H36.2Li/c1-3-5-7-9-15-21-27(22-16-10-8-6-4-2)25-19-13-11-17-23(25)24-18-12-14-20-26(24)27;;/h11-12,17-20H,3-10,15-16,21-22H2,1-2H3;;/q-2;2*+1
InChIKeyDOHYQYGZDFELRJ-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.28
Rot. Bonds12

About dilithium;9,9-diheptyl-2,7-dihydrofluorene-2,7-diide

dilithium;9,9-diheptyl-2,7-dihydrofluorene-2,7-diide (PubChem CID 59600006) has the molecular formula C27H36Li2 and a molecular weight of 374.47 g/mol. Its IUPAC name is dilithium;9,9-diheptyl-2,7-dihydrofluorene-2,7-diide.

Molecular Properties

Compound Namedilithium;9,9-diheptyl-2,7-dihydrofluorene-2,7-diide
PubChem CID59600006
Molecular FormulaC27H36Li2
Molecular Weight374.47 g/mol
Exact Mass374.31
IUPAC Namedilithium;9,9-diheptyl-2,7-dihydrofluorene-2,7-diide
SMILESCCCCCCCC1(CCCCCCC)c2c[c-]ccc2-c2cc[c-]cc21.[Li+].[Li+]
InChIInChI=1S/C27H36.2Li/c1-3-5-7-9-15-21-27(22-16-10-8-6-4-2)25-19-13-11-17-23(25)24-18-12-14-20-26(24)27;;/h11-12,17-20H,3-10,15-16,21-22H2,1-2H3;;/q-2;2*+1
InChIKeyDOHYQYGZDFELRJ-UHFFFAOYSA-N
XLogP2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9,9-didecyl-7-methyl-2H-fluoren-2-ide;yttrium
CID 58594781
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
9,9-dioctylfluorene;ethane;fluoren-9-one;methane
CID 158051918
9,9-bis(10-nonylsulfanyldecyl)fluorene
CID 102382728
(9,9-dioctyl-7-trimethylboranuidylfluoren-2-yl)-trimethylboranuide
CID 101466054
2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine
CID 134849382
CID 59561089
CID 59561089
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
tributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane
CID 158683961
2,7-bis(buta-1,3-diynyl)-9,9-dihexylfluorene
CID 86231954

Frequently Asked Questions

What is the IUPAC name of dilithium;9,9-diheptyl-2,7-dihydrofluorene-2,7-diide?
The IUPAC name of dilithium;9,9-diheptyl-2,7-dihydrofluorene-2,7-diide (CID 59600006) is dilithium;9,9-diheptyl-2,7-dihydrofluorene-2,7-diide.
What is the SMILES notation for dilithium;9,9-diheptyl-2,7-dihydrofluorene-2,7-diide?
The canonical SMILES for dilithium;9,9-diheptyl-2,7-dihydrofluorene-2,7-diide is CCCCCCCC1(CCCCCCC)c2c[c-]ccc2-c2cc[c-]cc21.[Li+].[Li+].
What is the InChIKey of dilithium;9,9-diheptyl-2,7-dihydrofluorene-2,7-diide?
The InChIKey is DOHYQYGZDFELRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36.2Li/c1-3-5-7-9-15-21-27(22-16-10-8-6-4-2)25-19-13-11-17-23(25)24-18-12-14-20-26(24)27;;/h11-12,17-20H,3-10,15-16,21-22H2,1-2H3;;/q-2;2*+1.
What are the key properties of dilithium;9,9-diheptyl-2,7-dihydrofluorene-2,7-diide?
dilithium;9,9-diheptyl-2,7-dihydrofluorene-2,7-diide has a molecular weight of 374.47 g/mol, XLogP of 2.28, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;9,9-diheptyl-2,7-dihydrofluorene-2,7-diide is sourced from PubChem (CID 59600006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).