9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]phenyl]fluoren-9-ol

C44H30O2 — CID 10973983

IUPAC9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]phenyl]fluoren-9-ol
SMILESOC1(c2ccc(-c3ccc(-c4ccc(C5(O)c6ccccc6-c6ccccc65)cc4)cc3)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C44H30O2/c45-43(39-13-5-1-9-35(39)36-10-2-6-14-40(36)43)33-25-21-31(22-26-33)29-17-19-30(20-18-29)32-23-27-34(28-24-32)44(46)41-15-7-3-11-37(41)38-12-4-8-16-42(38)44/h1-28,45-46H
InChIKeyDRXQVAYJBDZOAD-UHFFFAOYSA-N
MW590.72 g/mol
LogP9.55
Rot. Bonds4

About 9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]phenyl]fluoren-9-ol

9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]phenyl]fluoren-9-ol (PubChem CID 10973983) has the molecular formula C44H30O2 and a molecular weight of 590.72 g/mol. Its IUPAC name is 9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]phenyl]fluoren-9-ol.

Molecular Properties

Compound Name9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]phenyl]fluoren-9-ol
PubChem CID10973983
Molecular FormulaC44H30O2
Molecular Weight590.72 g/mol
Exact Mass590.22
IUPAC Name9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]phenyl]fluoren-9-ol
SMILESOC1(c2ccc(-c3ccc(-c4ccc(C5(O)c6ccccc6-c6ccccc65)cc4)cc3)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C44H30O2/c45-43(39-13-5-1-9-35(39)36-10-2-6-14-40(36)43)33-25-21-31(22-26-33)29-17-19-30(20-18-29)32-23-27-34(28-24-32)44(46)41-15-7-3-11-37(41)38-12-4-8-16-42(38)44/h1-28,45-46H
InChIKeyDRXQVAYJBDZOAD-UHFFFAOYSA-N
XLogP9.55
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 ≤ 59.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]phenyl]fluoren-9-ol?
The IUPAC name of 9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]phenyl]fluoren-9-ol (CID 10973983) is 9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]phenyl]fluoren-9-ol.
What is the SMILES notation for 9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]phenyl]fluoren-9-ol?
The canonical SMILES for 9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]phenyl]fluoren-9-ol is OC1(c2ccc(-c3ccc(-c4ccc(C5(O)c6ccccc6-c6ccccc65)cc4)cc3)cc2)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]phenyl]fluoren-9-ol?
The InChIKey is DRXQVAYJBDZOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30O2/c45-43(39-13-5-1-9-35(39)36-10-2-6-14-40(36)43)33-25-21-31(22-26-33)29-17-19-30(20-18-29)32-23-27-34(28-24-32)44(46)41-15-7-3-11-37(41)38-12-4-8-16-42(38)44/h1-28,45-46H.
What are the key properties of 9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]phenyl]fluoren-9-ol?
9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]phenyl]fluoren-9-ol has a molecular weight of 590.72 g/mol, XLogP of 9.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]phenyl]fluoren-9-ol is sourced from PubChem (CID 10973983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).