2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol

C54H58O2 — CID 10055798

IUPAC2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
SMILESCC(C)(C)c1ccc2c(c1)C(O)(c1ccccc1-c1ccccc1C1(O)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C54H58O2/c1-49(2,3)33-21-25-39-40-26-22-34(50(4,5)6)30-46(40)53(55,45(39)29-33)43-19-15-13-17-37(43)38-18-14-16-20-44(38)54(56)47-31-35(51(7,8)9)23-27-41(47)42-28-24-36(32-48(42)54)52(10,11)12/h13-32,55-56H,1-12H3
InChIKeyQDVGMOXFMKLHHF-UHFFFAOYSA-N
MW739.06 g/mol
LogP13.07
Rot. Bonds3

About 2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol

2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol (PubChem CID 10055798) has the molecular formula C54H58O2 and a molecular weight of 739.06 g/mol. Its IUPAC name is 2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol.

Molecular Properties

Compound Name2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
PubChem CID10055798
Molecular FormulaC54H58O2
Molecular Weight739.06 g/mol
Exact Mass738.44
IUPAC Name2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
SMILESCC(C)(C)c1ccc2c(c1)C(O)(c1ccccc1-c1ccccc1C1(O)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C54H58O2/c1-49(2,3)33-21-25-39-40-26-22-34(50(4,5)6)30-46(40)53(55,45(39)29-33)43-19-15-13-17-37(43)38-18-14-16-20-44(38)54(56)47-31-35(51(7,8)9)23-27-41(47)42-28-24-36(32-48(42)54)52(10,11)12/h13-32,55-56H,1-12H3
InChIKeyQDVGMOXFMKLHHF-UHFFFAOYSA-N
XLogP13.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.06
LogP ≤ 513.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331
2,7-ditert-butyl-9-[4-[4-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
CID 11767814
9'-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]spiro[fluorene-9,10'-phenanthrene]-9'-ol
CID 101437640
2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine
CID 151739192
3,6-ditert-butyl-9,9'-spirobi[fluorene]
CID 156624536
2'-tert-butylspiro[cyclohexane-1,9'-fluorene]
CID 168798514
2,10-ditert-butyltetraphenylene
CID 159208403
2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
CID 90153663
CID 174069072
CID 174069072
3-tert-butylspiro[9H-anthracene-10,9'-fluorene]
CID 175918743
9'-bromo-2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]
CID 153288141
CID 156687680
CID 156687680

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol?
The IUPAC name of 2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol (CID 10055798) is 2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol.
What is the SMILES notation for 2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol?
The canonical SMILES for 2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol is CC(C)(C)c1ccc2c(c1)C(O)(c1ccccc1-c1ccccc1C1(O)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc31)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol?
The InChIKey is QDVGMOXFMKLHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H58O2/c1-49(2,3)33-21-25-39-40-26-22-34(50(4,5)6)30-46(40)53(55,45(39)29-33)43-19-15-13-17-37(43)38-18-14-16-20-44(38)54(56)47-31-35(51(7,8)9)23-27-41(47)42-28-24-36(32-48(42)54)52(10,11)12/h13-32,55-56H,1-12H3.
What are the key properties of 2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol?
2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol has a molecular weight of 739.06 g/mol, XLogP of 13.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol is sourced from PubChem (CID 10055798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).