2,7-dibromo-9-[2-(3,6-ditert-butyl-9H-fluoren-9-yl)ethyl]-9H-fluorene

C36H36Br2 — CID 67039714

IUPAC2,7-dibromo-9-[2-(3,6-ditert-butyl-9H-fluoren-9-yl)ethyl]-9H-fluorene
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2CCC1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C36H36Br2/c1-35(2,3)21-7-11-26-25(27-12-8-22(36(4,5)6)18-32(27)31(26)17-21)15-16-30-33-19-23(37)9-13-28(33)29-14-10-24(38)20-34(29)30/h7-14,17-20,25,30H,15-16H2,1-6H3
InChIKeyFTDMFSOKTQUGHP-UHFFFAOYSA-N
MW628.49 g/mol
LogP11.51
Rot. Bonds3

About 2,7-dibromo-9-[2-(3,6-ditert-butyl-9H-fluoren-9-yl)ethyl]-9H-fluorene

2,7-dibromo-9-[2-(3,6-ditert-butyl-9H-fluoren-9-yl)ethyl]-9H-fluorene (PubChem CID 67039714) has the molecular formula C36H36Br2 and a molecular weight of 628.49 g/mol. Its IUPAC name is 2,7-dibromo-9-[2-(3,6-ditert-butyl-9H-fluoren-9-yl)ethyl]-9H-fluorene.

Molecular Properties

Compound Name2,7-dibromo-9-[2-(3,6-ditert-butyl-9H-fluoren-9-yl)ethyl]-9H-fluorene
PubChem CID67039714
Molecular FormulaC36H36Br2
Molecular Weight628.49 g/mol
Exact Mass626.12
IUPAC Name2,7-dibromo-9-[2-(3,6-ditert-butyl-9H-fluoren-9-yl)ethyl]-9H-fluorene
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2CCC1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C36H36Br2/c1-35(2,3)21-7-11-26-25(27-12-8-22(36(4,5)6)18-32(27)31(26)17-21)15-16-30-33-19-23(37)9-13-28(33)29-14-10-24(38)20-34(29)30/h7-14,17-20,25,30H,15-16H2,1-6H3
InChIKeyFTDMFSOKTQUGHP-UHFFFAOYSA-N
XLogP11.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.49
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-[2-(3,6-ditert-butyl-9H-fluoren-9-yl)ethyl]-9H-fluorene?
The IUPAC name of 2,7-dibromo-9-[2-(3,6-ditert-butyl-9H-fluoren-9-yl)ethyl]-9H-fluorene (CID 67039714) is 2,7-dibromo-9-[2-(3,6-ditert-butyl-9H-fluoren-9-yl)ethyl]-9H-fluorene.
What is the SMILES notation for 2,7-dibromo-9-[2-(3,6-ditert-butyl-9H-fluoren-9-yl)ethyl]-9H-fluorene?
The canonical SMILES for 2,7-dibromo-9-[2-(3,6-ditert-butyl-9H-fluoren-9-yl)ethyl]-9H-fluorene is CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2CCC1c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9-[2-(3,6-ditert-butyl-9H-fluoren-9-yl)ethyl]-9H-fluorene?
The InChIKey is FTDMFSOKTQUGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36Br2/c1-35(2,3)21-7-11-26-25(27-12-8-22(36(4,5)6)18-32(27)31(26)17-21)15-16-30-33-19-23(37)9-13-28(33)29-14-10-24(38)20-34(29)30/h7-14,17-20,25,30H,15-16H2,1-6H3.
What are the key properties of 2,7-dibromo-9-[2-(3,6-ditert-butyl-9H-fluoren-9-yl)ethyl]-9H-fluorene?
2,7-dibromo-9-[2-(3,6-ditert-butyl-9H-fluoren-9-yl)ethyl]-9H-fluorene has a molecular weight of 628.49 g/mol, XLogP of 11.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-[2-(3,6-ditert-butyl-9H-fluoren-9-yl)ethyl]-9H-fluorene is sourced from PubChem (CID 67039714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).