4,6-bis[2-[(4-tert-butylphenyl)methyl]-9H-fluoren-1-yl]benzene-1,3-diol

C54H50O2 — CID 151591558

IUPAC4,6-bis[2-[(4-tert-butylphenyl)methyl]-9H-fluoren-1-yl]benzene-1,3-diol
SMILESCC(C)(C)c1ccc(Cc2ccc3c(c2-c2cc(-c4c(Cc5ccc(C(C)(C)C)cc5)ccc5c4Cc4ccccc4-5)c(O)cc2O)Cc2ccccc2-3)cc1
InChIInChI=1S/C54H50O2/c1-53(2,3)39-21-15-33(16-22-39)27-37-19-25-43-41-13-9-7-11-35(41)29-45(43)51(37)47-31-48(50(56)32-49(47)55)52-38(28-34-17-23-40(24-18-34)54(4,5)6)20-26-44-42-14-10-8-12-36(42)30-46(44)52/h7-26,31-32,55-56H,27-30H2,1-6H3
InChIKeyQIPMICHBFQZHJO-UHFFFAOYSA-N
MW730.99 g/mol
LogP13.35
Rot. Bonds6

About 4,6-bis[2-[(4-tert-butylphenyl)methyl]-9H-fluoren-1-yl]benzene-1,3-diol

4,6-bis[2-[(4-tert-butylphenyl)methyl]-9H-fluoren-1-yl]benzene-1,3-diol (PubChem CID 151591558) has the molecular formula C54H50O2 and a molecular weight of 730.99 g/mol. Its IUPAC name is 4,6-bis[2-[(4-tert-butylphenyl)methyl]-9H-fluoren-1-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4,6-bis[2-[(4-tert-butylphenyl)methyl]-9H-fluoren-1-yl]benzene-1,3-diol
PubChem CID151591558
Molecular FormulaC54H50O2
Molecular Weight730.99 g/mol
Exact Mass730.38
IUPAC Name4,6-bis[2-[(4-tert-butylphenyl)methyl]-9H-fluoren-1-yl]benzene-1,3-diol
SMILESCC(C)(C)c1ccc(Cc2ccc3c(c2-c2cc(-c4c(Cc5ccc(C(C)(C)C)cc5)ccc5c4Cc4ccccc4-5)c(O)cc2O)Cc2ccccc2-3)cc1
InChIInChI=1S/C54H50O2/c1-53(2,3)39-21-15-33(16-22-39)27-37-19-25-43-41-13-9-7-11-35(41)29-45(43)51(37)47-31-48(50(56)32-49(47)55)52-38(28-34-17-23-40(24-18-34)54(4,5)6)20-26-44-42-14-10-8-12-36(42)30-46(44)52/h7-26,31-32,55-56H,27-30H2,1-6H3
InChIKeyQIPMICHBFQZHJO-UHFFFAOYSA-N
XLogP13.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.99
LogP ≤ 513.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-benzyl-9H-fluoren-1-yl)methyl]phenol
CID 151052174
4-[(1-benzyl-9H-fluoren-2-yl)methyl]phenol
CID 150703659
2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-9H-fluoren-2-yl]phenol
CID 141135954
1-(2-ethyl-9H-fluoren-1-yl)-4,5-dimethyl-9H-fluorene
CID 22912623
4-ethyl-1-[2-(4-ethylphenyl)phenyl]-9H-fluorene
CID 150954424
3-[1-(3-hydroxy-2-methylphenyl)-9H-fluoren-2-yl]-2-methylphenol
CID 160868332
4-benzyl-1-(2-chloro-3-phenylsulfanylphenyl)-9H-fluorene
CID 150917961
2-[1-(2-hydroxyphenyl)-9H-fluoren-2-yl]phenol;phenol
CID 22221785
3-[1-(2,3-dihydroxyphenyl)-9H-fluoren-2-yl]benzene-1,2-diol
CID 141152647
1-tert-butyl-2-phenyl-9H-fluorene
CID 172750922
1-ethoxy-9H-fluoren-2-ol
CID 174692103
1,2-bis(4-ethylphenyl)-9H-fluorene
CID 151520467

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[2-[(4-tert-butylphenyl)methyl]-9H-fluoren-1-yl]benzene-1,3-diol?
The IUPAC name of 4,6-bis[2-[(4-tert-butylphenyl)methyl]-9H-fluoren-1-yl]benzene-1,3-diol (CID 151591558) is 4,6-bis[2-[(4-tert-butylphenyl)methyl]-9H-fluoren-1-yl]benzene-1,3-diol.
What is the SMILES notation for 4,6-bis[2-[(4-tert-butylphenyl)methyl]-9H-fluoren-1-yl]benzene-1,3-diol?
The canonical SMILES for 4,6-bis[2-[(4-tert-butylphenyl)methyl]-9H-fluoren-1-yl]benzene-1,3-diol is CC(C)(C)c1ccc(Cc2ccc3c(c2-c2cc(-c4c(Cc5ccc(C(C)(C)C)cc5)ccc5c4Cc4ccccc4-5)c(O)cc2O)Cc2ccccc2-3)cc1.
What is the InChIKey of 4,6-bis[2-[(4-tert-butylphenyl)methyl]-9H-fluoren-1-yl]benzene-1,3-diol?
The InChIKey is QIPMICHBFQZHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H50O2/c1-53(2,3)39-21-15-33(16-22-39)27-37-19-25-43-41-13-9-7-11-35(41)29-45(43)51(37)47-31-48(50(56)32-49(47)55)52-38(28-34-17-23-40(24-18-34)54(4,5)6)20-26-44-42-14-10-8-12-36(42)30-46(44)52/h7-26,31-32,55-56H,27-30H2,1-6H3.
What are the key properties of 4,6-bis[2-[(4-tert-butylphenyl)methyl]-9H-fluoren-1-yl]benzene-1,3-diol?
4,6-bis[2-[(4-tert-butylphenyl)methyl]-9H-fluoren-1-yl]benzene-1,3-diol has a molecular weight of 730.99 g/mol, XLogP of 13.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[2-[(4-tert-butylphenyl)methyl]-9H-fluoren-1-yl]benzene-1,3-diol is sourced from PubChem (CID 151591558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).