4-[9-[4-[4-[9-[4-hydroxy-3-(hydroxymethyl)phenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]benzene-1,2-diol

C51H36O4 — CID 170225979

IUPAC4-[9-[4-[4-[9-[4-hydroxy-3-(hydroxymethyl)phenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]benzene-1,2-diol
SMILESOCc1cc(C2(c3ccc(-c4ccc(C5(c6ccc(O)c(O)c6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)ccc1O
InChIInChI=1S/C51H36O4/c52-31-34-29-37(25-27-47(34)53)50(43-13-5-1-9-39(43)40-10-2-6-14-44(40)50)35-21-17-32(18-22-35)33-19-23-36(24-20-33)51(38-26-28-48(54)49(55)30-38)45-15-7-3-11-41(45)42-12-4-8-16-46(42)51/h1-30,52-55H,31H2
InChIKeyXRVRZORDGFCCKE-UHFFFAOYSA-N
MW712.85 g/mol
LogP10.69
Rot. Bonds6

About 4-[9-[4-[4-[9-[4-hydroxy-3-(hydroxymethyl)phenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]benzene-1,2-diol

4-[9-[4-[4-[9-[4-hydroxy-3-(hydroxymethyl)phenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]benzene-1,2-diol (PubChem CID 170225979) has the molecular formula C51H36O4 and a molecular weight of 712.85 g/mol. Its IUPAC name is 4-[9-[4-[4-[9-[4-hydroxy-3-(hydroxymethyl)phenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[9-[4-[4-[9-[4-hydroxy-3-(hydroxymethyl)phenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]benzene-1,2-diol
PubChem CID170225979
Molecular FormulaC51H36O4
Molecular Weight712.85 g/mol
Exact Mass712.26
IUPAC Name4-[9-[4-[4-[9-[4-hydroxy-3-(hydroxymethyl)phenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]benzene-1,2-diol
SMILESOCc1cc(C2(c3ccc(-c4ccc(C5(c6ccc(O)c(O)c6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)ccc1O
InChIInChI=1S/C51H36O4/c52-31-34-29-37(25-27-47(34)53)50(43-13-5-1-9-39(43)40-10-2-6-14-44(40)50)35-21-17-32(18-22-35)33-19-23-36(24-20-33)51(38-26-28-48(54)49(55)30-38)45-15-7-3-11-41(45)42-12-4-8-16-46(42)51/h1-30,52-55H,31H2
InChIKeyXRVRZORDGFCCKE-UHFFFAOYSA-N
XLogP10.69
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.85
LogP ≤ 510.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol
CID 18410576
4-[9-(4-hydroxy-3-prop-2-enylphenyl)fluoren-9-yl]-2-methylphenol
CID 69497823
3-[4-[9-[4-(4-hydroxynaphthalen-2-yl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-ol
CID 69231580
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761
2-prop-2-enyl-4-[9-(3-prop-2-enylphenyl)fluoren-9-yl]phenol
CID 130394565
4-[9-(3,4-dihydroxyphenyl)fluoren-9-yl]benzene-1,2-diol;ethane;4-propan-2-ylnaphthalen-1-ol
CID 158834073
2-bromo-4-[9-(3-bromo-4-hydroxyphenyl)fluoren-9-yl]phenol
CID 23496560
2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene
CID 123796850
2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
CID 155660366
9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene
CID 123590616
4-[9-(4-hydroxy-3-phenylphenyl)-3,6-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol
CID 142536353
4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol
CID 87557614

Frequently Asked Questions

What is the IUPAC name of 4-[9-[4-[4-[9-[4-hydroxy-3-(hydroxymethyl)phenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]benzene-1,2-diol?
The IUPAC name of 4-[9-[4-[4-[9-[4-hydroxy-3-(hydroxymethyl)phenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]benzene-1,2-diol (CID 170225979) is 4-[9-[4-[4-[9-[4-hydroxy-3-(hydroxymethyl)phenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[9-[4-[4-[9-[4-hydroxy-3-(hydroxymethyl)phenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]benzene-1,2-diol?
The canonical SMILES for 4-[9-[4-[4-[9-[4-hydroxy-3-(hydroxymethyl)phenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]benzene-1,2-diol is OCc1cc(C2(c3ccc(-c4ccc(C5(c6ccc(O)c(O)c6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)ccc1O.
What is the InChIKey of 4-[9-[4-[4-[9-[4-hydroxy-3-(hydroxymethyl)phenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]benzene-1,2-diol?
The InChIKey is XRVRZORDGFCCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36O4/c52-31-34-29-37(25-27-47(34)53)50(43-13-5-1-9-39(43)40-10-2-6-14-44(40)50)35-21-17-32(18-22-35)33-19-23-36(24-20-33)51(38-26-28-48(54)49(55)30-38)45-15-7-3-11-41(45)42-12-4-8-16-46(42)51/h1-30,52-55H,31H2.
What are the key properties of 4-[9-[4-[4-[9-[4-hydroxy-3-(hydroxymethyl)phenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]benzene-1,2-diol?
4-[9-[4-[4-[9-[4-hydroxy-3-(hydroxymethyl)phenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]benzene-1,2-diol has a molecular weight of 712.85 g/mol, XLogP of 10.69, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[4-[4-[9-[4-hydroxy-3-(hydroxymethyl)phenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]benzene-1,2-diol is sourced from PubChem (CID 170225979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).