2,7-ditert-butyl-9-[4-[4-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol

C54H58O2 — CID 11767814

IUPAC2,7-ditert-butyl-9-[4-[4-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
SMILESCC(C)(C)c1ccc2c(c1)C(O)(c1ccc(-c3ccc(C4(O)c5cc(C(C)(C)C)ccc5-c5ccc(C(C)(C)C)cc54)cc3)cc1)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C54H58O2/c1-49(2,3)37-21-25-41-42-26-22-38(50(4,5)6)30-46(42)53(55,45(41)29-37)35-17-13-33(14-18-35)34-15-19-36(20-16-34)54(56)47-31-39(51(7,8)9)23-27-43(47)44-28-24-40(32-48(44)54)52(10,11)12/h13-32,55-56H,1-12H3
InChIKeyBLVNVLHOBHONPH-UHFFFAOYSA-N
MW739.06 g/mol
LogP13.07
Rot. Bonds3

About 2,7-ditert-butyl-9-[4-[4-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol

2,7-ditert-butyl-9-[4-[4-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol (PubChem CID 11767814) has the molecular formula C54H58O2 and a molecular weight of 739.06 g/mol. Its IUPAC name is 2,7-ditert-butyl-9-[4-[4-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol.

Molecular Properties

Compound Name2,7-ditert-butyl-9-[4-[4-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
PubChem CID11767814
Molecular FormulaC54H58O2
Molecular Weight739.06 g/mol
Exact Mass738.44
IUPAC Name2,7-ditert-butyl-9-[4-[4-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
SMILESCC(C)(C)c1ccc2c(c1)C(O)(c1ccc(-c3ccc(C4(O)c5cc(C(C)(C)C)ccc5-c5ccc(C(C)(C)C)cc54)cc3)cc1)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C54H58O2/c1-49(2,3)37-21-25-41-42-26-22-38(50(4,5)6)30-46(42)53(55,45(41)29-37)35-17-13-33(14-18-35)34-15-19-36(20-16-34)54(56)47-31-39(51(7,8)9)23-27-43(47)44-28-24-40(32-48(44)54)52(10,11)12/h13-32,55-56H,1-12H3
InChIKeyBLVNVLHOBHONPH-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

Analyze 2,7-ditert-butyl-9-[4-[4-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol with MolForge

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Related Compounds

2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
CID 10055798
(2,7-ditert-butyl-9-methylfluoren-9-yl)-trimethylsilane
CID 67896056
9'-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]spiro[fluorene-9,10'-phenanthrene]-9'-ol
CID 101437640
2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044
9-[4-(2,7-diethyl-9-hydroxyfluoren-9-yl)phenyl]-2,7-diethylfluoren-9-ol
CID 15828167
2,7-ditert-butyl-4-[4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluorene
CID 58986985
(9S)-2-tert-butyl-9-methyl-7-propan-2-ylfluoren-9-ol
CID 130401999
9-(4-tert-butylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 58371098
2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 130271595
2,7-ditert-butyl-4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluorene
CID 58986909
2,7-ditert-butyl-1'-(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 141125012
9-[3,5-bis(4-tert-butylphenyl)phenyl]-10-[4-[4-[9-[4-[4-[10-[3,5-bis(4-tert-butylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]anthracene
CID 22895266

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9-[4-[4-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol?
The IUPAC name of 2,7-ditert-butyl-9-[4-[4-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol (CID 11767814) is 2,7-ditert-butyl-9-[4-[4-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol.
What is the SMILES notation for 2,7-ditert-butyl-9-[4-[4-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol?
The canonical SMILES for 2,7-ditert-butyl-9-[4-[4-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol is CC(C)(C)c1ccc2c(c1)C(O)(c1ccc(-c3ccc(C4(O)c5cc(C(C)(C)C)ccc5-c5ccc(C(C)(C)C)cc54)cc3)cc1)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2,7-ditert-butyl-9-[4-[4-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol?
The InChIKey is BLVNVLHOBHONPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H58O2/c1-49(2,3)37-21-25-41-42-26-22-38(50(4,5)6)30-46(42)53(55,45(41)29-37)35-17-13-33(14-18-35)34-15-19-36(20-16-34)54(56)47-31-39(51(7,8)9)23-27-43(47)44-28-24-40(32-48(44)54)52(10,11)12/h13-32,55-56H,1-12H3.
What are the key properties of 2,7-ditert-butyl-9-[4-[4-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol?
2,7-ditert-butyl-9-[4-[4-(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-[4-[4-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol is sourced from PubChem (CID 11767814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).