9-[4-[2-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)-4-(9-hydroxyfluoren-9-yl)phenoxy]-3-[[2-[2-(hydroxymethyl)phenyl]phenyl]methyl]phenyl]fluoren-9-ol

C65H48O5 — CID 166873513

IUPAC9-[4-[2-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)-4-(9-hydroxyfluoren-9-yl)phenoxy]-3-[[2-[2-(hydroxymethyl)phenyl]phenyl]methyl]phenyl]fluoren-9-ol
SMILESOCc1ccccc1-c1ccccc1Cc1cc(C2(O)c3ccccc3-c3ccccc32)ccc1Oc1ccc(C2(O)c3ccccc3-c3ccccc32)cc1C1(O)c2ccccc2C2C=CC=CC21
InChIInChI=1S/C65H48O5/c66-40-42-18-2-4-20-47(42)46-19-3-1-17-41(46)37-43-38-44(63(67)54-27-11-5-21-48(54)49-22-6-12-28-55(49)63)33-35-61(43)70-62-36-34-45(64(68)56-29-13-7-23-50(56)51-24-8-14-30-57(51)64)39-60(62)65(69)58-31-15-9-25-52(58)53-26-10-16-32-59(53)65/h1-36,38-39,52,58,66-69H,37,40H2
InChIKeyBUPRHALDRXXNBO-UHFFFAOYSA-N
MW909.09 g/mol
LogP12.83
Rot. Bonds9

About 9-[4-[2-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)-4-(9-hydroxyfluoren-9-yl)phenoxy]-3-[[2-[2-(hydroxymethyl)phenyl]phenyl]methyl]phenyl]fluoren-9-ol

9-[4-[2-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)-4-(9-hydroxyfluoren-9-yl)phenoxy]-3-[[2-[2-(hydroxymethyl)phenyl]phenyl]methyl]phenyl]fluoren-9-ol (PubChem CID 166873513) has the molecular formula C65H48O5 and a molecular weight of 909.09 g/mol. Its IUPAC name is 9-[4-[2-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)-4-(9-hydroxyfluoren-9-yl)phenoxy]-3-[[2-[2-(hydroxymethyl)phenyl]phenyl]methyl]phenyl]fluoren-9-ol.

Molecular Properties

Compound Name9-[4-[2-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)-4-(9-hydroxyfluoren-9-yl)phenoxy]-3-[[2-[2-(hydroxymethyl)phenyl]phenyl]methyl]phenyl]fluoren-9-ol
PubChem CID166873513
Molecular FormulaC65H48O5
Molecular Weight909.09 g/mol
Exact Mass908.35
IUPAC Name9-[4-[2-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)-4-(9-hydroxyfluoren-9-yl)phenoxy]-3-[[2-[2-(hydroxymethyl)phenyl]phenyl]methyl]phenyl]fluoren-9-ol
SMILESOCc1ccccc1-c1ccccc1Cc1cc(C2(O)c3ccccc3-c3ccccc32)ccc1Oc1ccc(C2(O)c3ccccc3-c3ccccc32)cc1C1(O)c2ccccc2C2C=CC=CC21
InChIInChI=1S/C65H48O5/c66-40-42-18-2-4-20-47(42)46-19-3-1-17-41(46)37-43-38-44(63(67)54-27-11-5-21-48(54)49-22-6-12-28-55(49)63)33-35-61(43)70-62-36-34-45(64(68)56-29-13-7-23-50(56)51-24-8-14-30-57(51)64)39-60(62)65(69)58-31-15-9-25-52(58)53-26-10-16-32-59(53)65/h1-36,38-39,52,58,66-69H,37,40H2
InChIKeyBUPRHALDRXXNBO-UHFFFAOYSA-N
XLogP12.83
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.09
LogP ≤ 512.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)-4-(9-hydroxyfluoren-9-yl)phenoxy]-3-[[2-[2-(hydroxymethyl)phenyl]phenyl]methyl]phenyl]fluoren-9-ol?
The IUPAC name of 9-[4-[2-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)-4-(9-hydroxyfluoren-9-yl)phenoxy]-3-[[2-[2-(hydroxymethyl)phenyl]phenyl]methyl]phenyl]fluoren-9-ol (CID 166873513) is 9-[4-[2-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)-4-(9-hydroxyfluoren-9-yl)phenoxy]-3-[[2-[2-(hydroxymethyl)phenyl]phenyl]methyl]phenyl]fluoren-9-ol.
What is the SMILES notation for 9-[4-[2-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)-4-(9-hydroxyfluoren-9-yl)phenoxy]-3-[[2-[2-(hydroxymethyl)phenyl]phenyl]methyl]phenyl]fluoren-9-ol?
The canonical SMILES for 9-[4-[2-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)-4-(9-hydroxyfluoren-9-yl)phenoxy]-3-[[2-[2-(hydroxymethyl)phenyl]phenyl]methyl]phenyl]fluoren-9-ol is OCc1ccccc1-c1ccccc1Cc1cc(C2(O)c3ccccc3-c3ccccc32)ccc1Oc1ccc(C2(O)c3ccccc3-c3ccccc32)cc1C1(O)c2ccccc2C2C=CC=CC21.
What is the InChIKey of 9-[4-[2-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)-4-(9-hydroxyfluoren-9-yl)phenoxy]-3-[[2-[2-(hydroxymethyl)phenyl]phenyl]methyl]phenyl]fluoren-9-ol?
The InChIKey is BUPRHALDRXXNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H48O5/c66-40-42-18-2-4-20-47(42)46-19-3-1-17-41(46)37-43-38-44(63(67)54-27-11-5-21-48(54)49-22-6-12-28-55(49)63)33-35-61(43)70-62-36-34-45(64(68)56-29-13-7-23-50(56)51-24-8-14-30-57(51)64)39-60(62)65(69)58-31-15-9-25-52(58)53-26-10-16-32-59(53)65/h1-36,38-39,52,58,66-69H,37,40H2.
What are the key properties of 9-[4-[2-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)-4-(9-hydroxyfluoren-9-yl)phenoxy]-3-[[2-[2-(hydroxymethyl)phenyl]phenyl]methyl]phenyl]fluoren-9-ol?
9-[4-[2-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)-4-(9-hydroxyfluoren-9-yl)phenoxy]-3-[[2-[2-(hydroxymethyl)phenyl]phenyl]methyl]phenyl]fluoren-9-ol has a molecular weight of 909.09 g/mol, XLogP of 12.83, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)-4-(9-hydroxyfluoren-9-yl)phenoxy]-3-[[2-[2-(hydroxymethyl)phenyl]phenyl]methyl]phenyl]fluoren-9-ol is sourced from PubChem (CID 166873513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).