2,6-dibromo-9,10-bis(9,9-diphenylfluoren-2-yl)anthracene-9,10-diol

C64H42Br2O2 — CID 59136648

IUPAC2,6-dibromo-9,10-bis(9,9-diphenylfluoren-2-yl)anthracene-9,10-diol
SMILESOC1(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc(Br)cc2C(O)(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc(Br)cc21
InChIInChI=1S/C64H42Br2O2/c65-47-32-36-56-59(39-47)63(67,45-29-33-51-49-25-13-15-27-53(49)61(57(51)37-45,41-17-5-1-6-18-41)42-19-7-2-8-20-42)55-35-31-48(66)40-60(55)64(56,68)46-30-34-52-50-26-14-16-28-54(50)62(58(52)38-46,43-21-9-3-10-22-43)44-23-11-4-12-24-44/h1-40,67-68H
InChIKeyVKYLSLXYTNIVIL-UHFFFAOYSA-N
MW1002.85 g/mol
LogP14.82
Rot. Bonds6

About 2,6-dibromo-9,10-bis(9,9-diphenylfluoren-2-yl)anthracene-9,10-diol

2,6-dibromo-9,10-bis(9,9-diphenylfluoren-2-yl)anthracene-9,10-diol (PubChem CID 59136648) has the molecular formula C64H42Br2O2 and a molecular weight of 1002.85 g/mol. Its IUPAC name is 2,6-dibromo-9,10-bis(9,9-diphenylfluoren-2-yl)anthracene-9,10-diol.

Molecular Properties

Compound Name2,6-dibromo-9,10-bis(9,9-diphenylfluoren-2-yl)anthracene-9,10-diol
PubChem CID59136648
Molecular FormulaC64H42Br2O2
Molecular Weight1002.85 g/mol
Exact Mass1000.16
IUPAC Name2,6-dibromo-9,10-bis(9,9-diphenylfluoren-2-yl)anthracene-9,10-diol
SMILESOC1(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc(Br)cc2C(O)(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc(Br)cc21
InChIInChI=1S/C64H42Br2O2/c65-47-32-36-56-59(39-47)63(67,45-29-33-51-49-25-13-15-27-53(49)61(57(51)37-45,41-17-5-1-6-18-41)42-19-7-2-8-20-42)55-35-31-48(66)40-60(55)64(56,68)46-30-34-52-50-26-14-16-28-54(50)62(58(52)38-46,43-21-9-3-10-22-43)44-23-11-4-12-24-44/h1-40,67-68H
InChIKeyVKYLSLXYTNIVIL-UHFFFAOYSA-N
XLogP14.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001002.85
LogP ≤ 514.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-9,10-bis(9,9-diphenylfluoren-2-yl)anthracene-9,10-diol?
The IUPAC name of 2,6-dibromo-9,10-bis(9,9-diphenylfluoren-2-yl)anthracene-9,10-diol (CID 59136648) is 2,6-dibromo-9,10-bis(9,9-diphenylfluoren-2-yl)anthracene-9,10-diol.
What is the SMILES notation for 2,6-dibromo-9,10-bis(9,9-diphenylfluoren-2-yl)anthracene-9,10-diol?
The canonical SMILES for 2,6-dibromo-9,10-bis(9,9-diphenylfluoren-2-yl)anthracene-9,10-diol is OC1(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc(Br)cc2C(O)(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc(Br)cc21.
What is the InChIKey of 2,6-dibromo-9,10-bis(9,9-diphenylfluoren-2-yl)anthracene-9,10-diol?
The InChIKey is VKYLSLXYTNIVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42Br2O2/c65-47-32-36-56-59(39-47)63(67,45-29-33-51-49-25-13-15-27-53(49)61(57(51)37-45,41-17-5-1-6-18-41)42-19-7-2-8-20-42)55-35-31-48(66)40-60(55)64(56,68)46-30-34-52-50-26-14-16-28-54(50)62(58(52)38-46,43-21-9-3-10-22-43)44-23-11-4-12-24-44/h1-40,67-68H.
What are the key properties of 2,6-dibromo-9,10-bis(9,9-diphenylfluoren-2-yl)anthracene-9,10-diol?
2,6-dibromo-9,10-bis(9,9-diphenylfluoren-2-yl)anthracene-9,10-diol has a molecular weight of 1002.85 g/mol, XLogP of 14.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-9,10-bis(9,9-diphenylfluoren-2-yl)anthracene-9,10-diol is sourced from PubChem (CID 59136648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).