3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol

C44H30O2 — CID 90136304

IUPAC3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol
SMILESOc1cccc(C2(c3cccc(C4(c5cccc(O)c5)c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C44H30O2/c45-33-16-10-14-31(27-33)43(39-22-5-1-18-35(39)36-19-2-6-23-40(36)43)29-12-9-13-30(26-29)44(32-15-11-17-34(46)28-32)41-24-7-3-20-37(41)38-21-4-8-25-42(38)44/h1-28,45-46H
InChIKeySSPLEYXPHFVTJF-UHFFFAOYSA-N
MW590.72 g/mol
LogP9.82
Rot. Bonds4

About 3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol

3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol (PubChem CID 90136304) has the molecular formula C44H30O2 and a molecular weight of 590.72 g/mol. Its IUPAC name is 3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol.

Molecular Properties

Compound Name3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol
PubChem CID90136304
Molecular FormulaC44H30O2
Molecular Weight590.72 g/mol
Exact Mass590.22
IUPAC Name3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol
SMILESOc1cccc(C2(c3cccc(C4(c5cccc(O)c5)c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C44H30O2/c45-33-16-10-14-31(27-33)43(39-22-5-1-18-35(39)36-19-2-6-23-40(36)43)29-12-9-13-30(26-29)44(32-15-11-17-34(46)28-32)41-24-7-3-20-37(41)38-21-4-8-25-42(38)44/h1-28,45-46H
InChIKeySSPLEYXPHFVTJF-UHFFFAOYSA-N
XLogP9.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.72
LogP ≤ 59.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol
CID 139891134
9-[3-[9-[3-[9-(dimethylamino)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]-N,N-dimethylfluoren-9-amine
CID 140589682
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol
CID 175617635
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118667876
2-[9-(2,5-dihydroxyphenyl)fluoren-9-yl]benzene-1,4-diol
CID 137364137
3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one
CID 59806850
2-bromo-4-[9-(3-bromo-4-hydroxyphenyl)fluoren-9-yl]phenol
CID 23496560
9-[3-(9H-fluoren-9-yl)phenyl]-9-phenylfluorene
CID 123461453
6-[9,18,18,27,27-pentakis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-ol
CID 89491369

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol?
The IUPAC name of 3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol (CID 90136304) is 3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol.
What is the SMILES notation for 3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol?
The canonical SMILES for 3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol is Oc1cccc(C2(c3cccc(C4(c5cccc(O)c5)c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol?
The InChIKey is SSPLEYXPHFVTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30O2/c45-33-16-10-14-31(27-33)43(39-22-5-1-18-35(39)36-19-2-6-23-40(36)43)29-12-9-13-30(26-29)44(32-15-11-17-34(46)28-32)41-24-7-3-20-37(41)38-21-4-8-25-42(38)44/h1-28,45-46H.
What are the key properties of 3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol?
3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol has a molecular weight of 590.72 g/mol, XLogP of 9.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol is sourced from PubChem (CID 90136304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).