9,9-bis(2-ethylhexyl)-2,7-diphenylfluorene

C41H50 — CID 86093239

IUPAC9,9-bis(2-ethylhexyl)-2,7-diphenylfluorene
SMILESCCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C41H50/c1-5-9-17-31(7-3)29-41(30-32(8-4)18-10-6-2)39-27-35(33-19-13-11-14-20-33)23-25-37(39)38-26-24-36(28-40(38)41)34-21-15-12-16-22-34/h11-16,19-28,31-32H,5-10,17-18,29-30H2,1-4H3
InChIKeyFXBVKATZRAILGQ-UHFFFAOYSA-N
MW542.85 g/mol
LogP12.50
Rot. Bonds14

About 9,9-bis(2-ethylhexyl)-2,7-diphenylfluorene

9,9-bis(2-ethylhexyl)-2,7-diphenylfluorene (PubChem CID 86093239) has the molecular formula C41H50 and a molecular weight of 542.85 g/mol. Its IUPAC name is 9,9-bis(2-ethylhexyl)-2,7-diphenylfluorene.

Molecular Properties

Compound Name9,9-bis(2-ethylhexyl)-2,7-diphenylfluorene
PubChem CID86093239
Molecular FormulaC41H50
Molecular Weight542.85 g/mol
Exact Mass542.39
IUPAC Name9,9-bis(2-ethylhexyl)-2,7-diphenylfluorene
SMILESCCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C41H50/c1-5-9-17-31(7-3)29-41(30-32(8-4)18-10-6-2)39-27-35(33-19-13-11-14-20-33)23-25-37(39)38-26-24-36(28-40(38)41)34-21-15-12-16-22-34/h11-16,19-28,31-32H,5-10,17-18,29-30H2,1-4H3
InChIKeyFXBVKATZRAILGQ-UHFFFAOYSA-N
XLogP12.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.85
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9,9-bis(2-ethylhexyl)-2,7-diphenylfluorene?
The IUPAC name of 9,9-bis(2-ethylhexyl)-2,7-diphenylfluorene (CID 86093239) is 9,9-bis(2-ethylhexyl)-2,7-diphenylfluorene.
What is the SMILES notation for 9,9-bis(2-ethylhexyl)-2,7-diphenylfluorene?
The canonical SMILES for 9,9-bis(2-ethylhexyl)-2,7-diphenylfluorene is CCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 9,9-bis(2-ethylhexyl)-2,7-diphenylfluorene?
The InChIKey is FXBVKATZRAILGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H50/c1-5-9-17-31(7-3)29-41(30-32(8-4)18-10-6-2)39-27-35(33-19-13-11-14-20-33)23-25-37(39)38-26-24-36(28-40(38)41)34-21-15-12-16-22-34/h11-16,19-28,31-32H,5-10,17-18,29-30H2,1-4H3.
What are the key properties of 9,9-bis(2-ethylhexyl)-2,7-diphenylfluorene?
9,9-bis(2-ethylhexyl)-2,7-diphenylfluorene has a molecular weight of 542.85 g/mol, XLogP of 12.50, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(2-ethylhexyl)-2,7-diphenylfluorene is sourced from PubChem (CID 86093239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).