2,6-bis(1-benzofuran-2-yl)-4-[9-[3,5-bis(1-benzofuran-2-yl)-4-hydroxyphenyl]fluoren-9-yl]phenol

C57H34O6 — CID 172515748

IUPAC2,6-bis(1-benzofuran-2-yl)-4-[9-[3,5-bis(1-benzofuran-2-yl)-4-hydroxyphenyl]fluoren-9-yl]phenol
SMILESOc1c(-c2cc3ccccc3o2)cc(C2(c3cc(-c4cc5ccccc5o4)c(O)c(-c4cc5ccccc5o4)c3)c3ccccc3-c3ccccc32)cc1-c1cc2ccccc2o1
InChIInChI=1S/C57H34O6/c58-55-41(51-25-33-13-1-9-21-47(33)60-51)29-37(30-42(55)52-26-34-14-2-10-22-48(34)61-52)57(45-19-7-5-17-39(45)40-18-6-8-20-46(40)57)38-31-43(53-27-35-15-3-11-23-49(35)62-53)56(59)44(32-38)54-28-36-16-4-12-24-50(36)63-54/h1-32,58-59H
InChIKeyJXCQRNFPLOIZPM-UHFFFAOYSA-N
MW814.89 g/mol
LogP15.11
Rot. Bonds6

About 2,6-bis(1-benzofuran-2-yl)-4-[9-[3,5-bis(1-benzofuran-2-yl)-4-hydroxyphenyl]fluoren-9-yl]phenol

2,6-bis(1-benzofuran-2-yl)-4-[9-[3,5-bis(1-benzofuran-2-yl)-4-hydroxyphenyl]fluoren-9-yl]phenol (PubChem CID 172515748) has the molecular formula C57H34O6 and a molecular weight of 814.89 g/mol. Its IUPAC name is 2,6-bis(1-benzofuran-2-yl)-4-[9-[3,5-bis(1-benzofuran-2-yl)-4-hydroxyphenyl]fluoren-9-yl]phenol.

Molecular Properties

Compound Name2,6-bis(1-benzofuran-2-yl)-4-[9-[3,5-bis(1-benzofuran-2-yl)-4-hydroxyphenyl]fluoren-9-yl]phenol
PubChem CID172515748
Molecular FormulaC57H34O6
Molecular Weight814.89 g/mol
Exact Mass814.24
IUPAC Name2,6-bis(1-benzofuran-2-yl)-4-[9-[3,5-bis(1-benzofuran-2-yl)-4-hydroxyphenyl]fluoren-9-yl]phenol
SMILESOc1c(-c2cc3ccccc3o2)cc(C2(c3cc(-c4cc5ccccc5o4)c(O)c(-c4cc5ccccc5o4)c3)c3ccccc3-c3ccccc32)cc1-c1cc2ccccc2o1
InChIInChI=1S/C57H34O6/c58-55-41(51-25-33-13-1-9-21-47(33)60-51)29-37(30-42(55)52-26-34-14-2-10-22-48(34)61-52)57(45-19-7-5-17-39(45)40-18-6-8-20-46(40)57)38-31-43(53-27-35-15-3-11-23-49(35)62-53)56(59)44(32-38)54-28-36-16-4-12-24-50(36)63-54/h1-32,58-59H
InChIKeyJXCQRNFPLOIZPM-UHFFFAOYSA-N
XLogP15.11
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.89
LogP ≤ 515.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-[2-(1-benzofuran-2-yl)phenyl]-2-bromofluoren-9-ol
CID 134529564
2-(2-bromophenyl)-1-benzofuran
CID 14669096
2,2'-bis(1-benzofuran-2-yl)spiro[fluorene-9,9'-xanthene]
CID 59096391
2-[4-(1-benzofuran-2-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 146183144
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
4-(1-benzofuran-2-yl)-5-bromobenzene-1,2-diol
CID 118731476
5-[9-(3,5-dicyano-4-hydroxyphenyl)fluoren-9-yl]-2-hydroxybenzene-1,3-dicarbonitrile
CID 18792326
2-[2-(iodomethyl)phenyl]-1-benzofuran
CID 146186545
spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
2-(9-anthracen-2-ylfluoren-9-yl)anthracene
CID 162705610
2-(2-methylperoxyphenyl)-1-benzofuran
CID 134976959
3-(2-hydroxyphenyl)chromen-2-one
CID 819892

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(1-benzofuran-2-yl)-4-[9-[3,5-bis(1-benzofuran-2-yl)-4-hydroxyphenyl]fluoren-9-yl]phenol?
The IUPAC name of 2,6-bis(1-benzofuran-2-yl)-4-[9-[3,5-bis(1-benzofuran-2-yl)-4-hydroxyphenyl]fluoren-9-yl]phenol (CID 172515748) is 2,6-bis(1-benzofuran-2-yl)-4-[9-[3,5-bis(1-benzofuran-2-yl)-4-hydroxyphenyl]fluoren-9-yl]phenol.
What is the SMILES notation for 2,6-bis(1-benzofuran-2-yl)-4-[9-[3,5-bis(1-benzofuran-2-yl)-4-hydroxyphenyl]fluoren-9-yl]phenol?
The canonical SMILES for 2,6-bis(1-benzofuran-2-yl)-4-[9-[3,5-bis(1-benzofuran-2-yl)-4-hydroxyphenyl]fluoren-9-yl]phenol is Oc1c(-c2cc3ccccc3o2)cc(C2(c3cc(-c4cc5ccccc5o4)c(O)c(-c4cc5ccccc5o4)c3)c3ccccc3-c3ccccc32)cc1-c1cc2ccccc2o1.
What is the InChIKey of 2,6-bis(1-benzofuran-2-yl)-4-[9-[3,5-bis(1-benzofuran-2-yl)-4-hydroxyphenyl]fluoren-9-yl]phenol?
The InChIKey is JXCQRNFPLOIZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34O6/c58-55-41(51-25-33-13-1-9-21-47(33)60-51)29-37(30-42(55)52-26-34-14-2-10-22-48(34)61-52)57(45-19-7-5-17-39(45)40-18-6-8-20-46(40)57)38-31-43(53-27-35-15-3-11-23-49(35)62-53)56(59)44(32-38)54-28-36-16-4-12-24-50(36)63-54/h1-32,58-59H.
What are the key properties of 2,6-bis(1-benzofuran-2-yl)-4-[9-[3,5-bis(1-benzofuran-2-yl)-4-hydroxyphenyl]fluoren-9-yl]phenol?
2,6-bis(1-benzofuran-2-yl)-4-[9-[3,5-bis(1-benzofuran-2-yl)-4-hydroxyphenyl]fluoren-9-yl]phenol has a molecular weight of 814.89 g/mol, XLogP of 15.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(1-benzofuran-2-yl)-4-[9-[3,5-bis(1-benzofuran-2-yl)-4-hydroxyphenyl]fluoren-9-yl]phenol is sourced from PubChem (CID 172515748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).