2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]methoxy]-5-fluorophenyl]-4-methylphenol

C51H36F2N2O4 — CID 121378647

IUPAC2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]methoxy]-5-fluorophenyl]-4-methylphenol
SMILESCc1cc(-c2cc(F)ccc2OCOc2ccc(F)cc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C51H36F2N2O4/c1-30-23-40(50(56)46(25-30)54-42-15-7-3-11-34(42)35-12-4-8-16-43(35)54)38-27-32(52)19-21-48(38)58-29-59-49-22-20-33(53)28-39(49)41-24-31(2)26-47(51(41)57)55-44-17-9-5-13-36(44)37-14-6-10-18-45(37)55/h3-28,56-57H,29H2,1-2H3
InChIKeyGKEXQBFEAKDQFR-UHFFFAOYSA-N
MW778.85 g/mol
LogP12.94
Rot. Bonds8

About 2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]methoxy]-5-fluorophenyl]-4-methylphenol

2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]methoxy]-5-fluorophenyl]-4-methylphenol (PubChem CID 121378647) has the molecular formula C51H36F2N2O4 and a molecular weight of 778.85 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]methoxy]-5-fluorophenyl]-4-methylphenol.

Molecular Properties

Compound Name2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]methoxy]-5-fluorophenyl]-4-methylphenol
PubChem CID121378647
Molecular FormulaC51H36F2N2O4
Molecular Weight778.85 g/mol
Exact Mass778.26
IUPAC Name2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]methoxy]-5-fluorophenyl]-4-methylphenol
SMILESCc1cc(-c2cc(F)ccc2OCOc2ccc(F)cc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C51H36F2N2O4/c1-30-23-40(50(56)46(25-30)54-42-15-7-3-11-34(42)35-12-4-8-16-43(35)54)38-27-32(52)19-21-48(38)58-29-59-49-22-20-33(53)28-39(49)41-24-31(2)26-47(51(41)57)55-44-17-9-5-13-36(44)37-14-6-10-18-45(37)55/h3-28,56-57H,29H2,1-2H3
InChIKeyGKEXQBFEAKDQFR-UHFFFAOYSA-N
XLogP12.94
TPSA68.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.85
LogP ≤ 512.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]methoxy]-5-fluorophenyl]-4-methylphenol?
The IUPAC name of 2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]methoxy]-5-fluorophenyl]-4-methylphenol (CID 121378647) is 2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]methoxy]-5-fluorophenyl]-4-methylphenol.
What is the SMILES notation for 2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]methoxy]-5-fluorophenyl]-4-methylphenol?
The canonical SMILES for 2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]methoxy]-5-fluorophenyl]-4-methylphenol is Cc1cc(-c2cc(F)ccc2OCOc2ccc(F)cc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]methoxy]-5-fluorophenyl]-4-methylphenol?
The InChIKey is GKEXQBFEAKDQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36F2N2O4/c1-30-23-40(50(56)46(25-30)54-42-15-7-3-11-34(42)35-12-4-8-16-43(35)54)38-27-32(52)19-21-48(38)58-29-59-49-22-20-33(53)28-39(49)41-24-31(2)26-47(51(41)57)55-44-17-9-5-13-36(44)37-14-6-10-18-45(37)55/h3-28,56-57H,29H2,1-2H3.
What are the key properties of 2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]methoxy]-5-fluorophenyl]-4-methylphenol?
2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]methoxy]-5-fluorophenyl]-4-methylphenol has a molecular weight of 778.85 g/mol, XLogP of 12.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]methoxy]-5-fluorophenyl]-4-methylphenol is sourced from PubChem (CID 121378647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).