2,5-bis(3-carbazol-9-yl-2-fluorophenyl)benzene-1,4-diol

C42H26F2N2O2 — CID 59146925

IUPAC2,5-bis(3-carbazol-9-yl-2-fluorophenyl)benzene-1,4-diol
SMILESOc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2F)c(O)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1F
InChIInChI=1S/C42H26F2N2O2/c43-41-29(15-9-21-37(41)45-33-17-5-1-11-25(33)26-12-2-6-18-34(26)45)31-23-40(48)32(24-39(31)47)30-16-10-22-38(42(30)44)46-35-19-7-3-13-27(35)28-14-4-8-20-36(28)46/h1-24,47-48H
InChIKeyNELORHCGUUNGOU-UHFFFAOYSA-N
MW628.68 g/mol
LogP10.90
Rot. Bonds4

About 2,5-bis(3-carbazol-9-yl-2-fluorophenyl)benzene-1,4-diol

2,5-bis(3-carbazol-9-yl-2-fluorophenyl)benzene-1,4-diol (PubChem CID 59146925) has the molecular formula C42H26F2N2O2 and a molecular weight of 628.68 g/mol. Its IUPAC name is 2,5-bis(3-carbazol-9-yl-2-fluorophenyl)benzene-1,4-diol.

Molecular Properties

Compound Name2,5-bis(3-carbazol-9-yl-2-fluorophenyl)benzene-1,4-diol
PubChem CID59146925
Molecular FormulaC42H26F2N2O2
Molecular Weight628.68 g/mol
Exact Mass628.20
IUPAC Name2,5-bis(3-carbazol-9-yl-2-fluorophenyl)benzene-1,4-diol
SMILESOc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2F)c(O)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1F
InChIInChI=1S/C42H26F2N2O2/c43-41-29(15-9-21-37(41)45-33-17-5-1-11-25(33)26-12-2-6-18-34(26)45)31-23-40(48)32(24-39(31)47)30-16-10-22-38(42(30)44)46-35-19-7-3-13-27(35)28-14-4-8-20-36(28)46/h1-24,47-48H
InChIKeyNELORHCGUUNGOU-UHFFFAOYSA-N
XLogP10.90
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.68
LogP ≤ 510.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3-carbazol-9-yl-2-fluorophenyl)benzene-1,4-diol?
The IUPAC name of 2,5-bis(3-carbazol-9-yl-2-fluorophenyl)benzene-1,4-diol (CID 59146925) is 2,5-bis(3-carbazol-9-yl-2-fluorophenyl)benzene-1,4-diol.
What is the SMILES notation for 2,5-bis(3-carbazol-9-yl-2-fluorophenyl)benzene-1,4-diol?
The canonical SMILES for 2,5-bis(3-carbazol-9-yl-2-fluorophenyl)benzene-1,4-diol is Oc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2F)c(O)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1F.
What is the InChIKey of 2,5-bis(3-carbazol-9-yl-2-fluorophenyl)benzene-1,4-diol?
The InChIKey is NELORHCGUUNGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26F2N2O2/c43-41-29(15-9-21-37(41)45-33-17-5-1-11-25(33)26-12-2-6-18-34(26)45)31-23-40(48)32(24-39(31)47)30-16-10-22-38(42(30)44)46-35-19-7-3-13-27(35)28-14-4-8-20-36(28)46/h1-24,47-48H.
What are the key properties of 2,5-bis(3-carbazol-9-yl-2-fluorophenyl)benzene-1,4-diol?
2,5-bis(3-carbazol-9-yl-2-fluorophenyl)benzene-1,4-diol has a molecular weight of 628.68 g/mol, XLogP of 10.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3-carbazol-9-yl-2-fluorophenyl)benzene-1,4-diol is sourced from PubChem (CID 59146925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).