2-(9-butan-2-yloxy-9H-fluoren-2-yl)-9-(3-methylbutan-2-yloxy)-9H-fluorene

C35H36O2 — CID 129070809

IUPAC2-(9-butan-2-yloxy-9H-fluoren-2-yl)-9-(3-methylbutan-2-yloxy)-9H-fluorene
SMILESCCC(C)OC1c2ccccc2-c2ccc(-c3ccc4c(c3)C(OC(C)C(C)C)c3ccccc3-4)cc21
InChIInChI=1S/C35H36O2/c1-6-22(4)36-34-30-13-9-7-11-26(30)28-17-15-24(19-32(28)34)25-16-18-29-27-12-8-10-14-31(27)35(33(29)20-25)37-23(5)21(2)3/h7-23,34-35H,6H2,1-5H3
InChIKeyPCZFRRNMTCKWHE-UHFFFAOYSA-N
MW488.67 g/mol
LogP9.37
Rot. Bonds7

About 2-(9-butan-2-yloxy-9H-fluoren-2-yl)-9-(3-methylbutan-2-yloxy)-9H-fluorene

2-(9-butan-2-yloxy-9H-fluoren-2-yl)-9-(3-methylbutan-2-yloxy)-9H-fluorene (PubChem CID 129070809) has the molecular formula C35H36O2 and a molecular weight of 488.67 g/mol. Its IUPAC name is 2-(9-butan-2-yloxy-9H-fluoren-2-yl)-9-(3-methylbutan-2-yloxy)-9H-fluorene.

Molecular Properties

Compound Name2-(9-butan-2-yloxy-9H-fluoren-2-yl)-9-(3-methylbutan-2-yloxy)-9H-fluorene
PubChem CID129070809
Molecular FormulaC35H36O2
Molecular Weight488.67 g/mol
Exact Mass488.27
IUPAC Name2-(9-butan-2-yloxy-9H-fluoren-2-yl)-9-(3-methylbutan-2-yloxy)-9H-fluorene
SMILESCCC(C)OC1c2ccccc2-c2ccc(-c3ccc4c(c3)C(OC(C)C(C)C)c3ccccc3-4)cc21
InChIInChI=1S/C35H36O2/c1-6-22(4)36-34-30-13-9-7-11-26(30)28-17-15-24(19-32(28)34)25-16-18-29-27-12-8-10-14-31(27)35(33(29)20-25)37-23(5)21(2)3/h7-23,34-35H,6H2,1-5H3
InChIKeyPCZFRRNMTCKWHE-UHFFFAOYSA-N
XLogP9.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.67
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(9-butan-2-yloxy-9H-fluoren-2-yl)-9-(3-methylbutan-2-yloxy)-9H-fluorene?
The IUPAC name of 2-(9-butan-2-yloxy-9H-fluoren-2-yl)-9-(3-methylbutan-2-yloxy)-9H-fluorene (CID 129070809) is 2-(9-butan-2-yloxy-9H-fluoren-2-yl)-9-(3-methylbutan-2-yloxy)-9H-fluorene.
What is the SMILES notation for 2-(9-butan-2-yloxy-9H-fluoren-2-yl)-9-(3-methylbutan-2-yloxy)-9H-fluorene?
The canonical SMILES for 2-(9-butan-2-yloxy-9H-fluoren-2-yl)-9-(3-methylbutan-2-yloxy)-9H-fluorene is CCC(C)OC1c2ccccc2-c2ccc(-c3ccc4c(c3)C(OC(C)C(C)C)c3ccccc3-4)cc21.
What is the InChIKey of 2-(9-butan-2-yloxy-9H-fluoren-2-yl)-9-(3-methylbutan-2-yloxy)-9H-fluorene?
The InChIKey is PCZFRRNMTCKWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36O2/c1-6-22(4)36-34-30-13-9-7-11-26(30)28-17-15-24(19-32(28)34)25-16-18-29-27-12-8-10-14-31(27)35(33(29)20-25)37-23(5)21(2)3/h7-23,34-35H,6H2,1-5H3.
What are the key properties of 2-(9-butan-2-yloxy-9H-fluoren-2-yl)-9-(3-methylbutan-2-yloxy)-9H-fluorene?
2-(9-butan-2-yloxy-9H-fluoren-2-yl)-9-(3-methylbutan-2-yloxy)-9H-fluorene has a molecular weight of 488.67 g/mol, XLogP of 9.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-butan-2-yloxy-9H-fluoren-2-yl)-9-(3-methylbutan-2-yloxy)-9H-fluorene is sourced from PubChem (CID 129070809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).