4-carbazol-9-yl-2-[5-(5-carbazol-9-yl-2-nitrophenyl)-2,4-difluorophenyl]phenol

C42H25F2N3O3 — CID 59146973

IUPAC4-carbazol-9-yl-2-[5-(5-carbazol-9-yl-2-nitrophenyl)-2,4-difluorophenyl]phenol
SMILESO=[N+]([O-])c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2O)c(F)cc1F
InChIInChI=1S/C42H25F2N3O3/c43-35-24-36(44)32(34-22-26(18-20-42(34)48)46-39-15-7-3-11-29(39)30-12-4-8-16-40(30)46)23-31(35)33-21-25(17-19-41(33)47(49)50)45-37-13-5-1-9-27(37)28-10-2-6-14-38(28)45/h1-24,48H
InChIKeyTWFJVWZHOKLTCT-UHFFFAOYSA-N
MW657.68 g/mol
LogP11.11
Rot. Bonds5

About 4-carbazol-9-yl-2-[5-(5-carbazol-9-yl-2-nitrophenyl)-2,4-difluorophenyl]phenol

4-carbazol-9-yl-2-[5-(5-carbazol-9-yl-2-nitrophenyl)-2,4-difluorophenyl]phenol (PubChem CID 59146973) has the molecular formula C42H25F2N3O3 and a molecular weight of 657.68 g/mol. Its IUPAC name is 4-carbazol-9-yl-2-[5-(5-carbazol-9-yl-2-nitrophenyl)-2,4-difluorophenyl]phenol.

Molecular Properties

Compound Name4-carbazol-9-yl-2-[5-(5-carbazol-9-yl-2-nitrophenyl)-2,4-difluorophenyl]phenol
PubChem CID59146973
Molecular FormulaC42H25F2N3O3
Molecular Weight657.68 g/mol
Exact Mass657.19
IUPAC Name4-carbazol-9-yl-2-[5-(5-carbazol-9-yl-2-nitrophenyl)-2,4-difluorophenyl]phenol
SMILESO=[N+]([O-])c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2O)c(F)cc1F
InChIInChI=1S/C42H25F2N3O3/c43-35-24-36(44)32(34-22-26(18-20-42(34)48)46-39-15-7-3-11-29(39)30-12-4-8-16-40(30)46)23-31(35)33-21-25(17-19-41(33)47(49)50)45-37-13-5-1-9-27(37)28-10-2-6-14-38(28)45/h1-24,48H
InChIKeyTWFJVWZHOKLTCT-UHFFFAOYSA-N
XLogP11.11
TPSA73.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.68
LogP ≤ 511.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-2-[5-(5-carbazol-9-yl-2-nitrophenyl)-2,4-difluorophenyl]phenol?
The IUPAC name of 4-carbazol-9-yl-2-[5-(5-carbazol-9-yl-2-nitrophenyl)-2,4-difluorophenyl]phenol (CID 59146973) is 4-carbazol-9-yl-2-[5-(5-carbazol-9-yl-2-nitrophenyl)-2,4-difluorophenyl]phenol.
What is the SMILES notation for 4-carbazol-9-yl-2-[5-(5-carbazol-9-yl-2-nitrophenyl)-2,4-difluorophenyl]phenol?
The canonical SMILES for 4-carbazol-9-yl-2-[5-(5-carbazol-9-yl-2-nitrophenyl)-2,4-difluorophenyl]phenol is O=[N+]([O-])c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2O)c(F)cc1F.
What is the InChIKey of 4-carbazol-9-yl-2-[5-(5-carbazol-9-yl-2-nitrophenyl)-2,4-difluorophenyl]phenol?
The InChIKey is TWFJVWZHOKLTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25F2N3O3/c43-35-24-36(44)32(34-22-26(18-20-42(34)48)46-39-15-7-3-11-29(39)30-12-4-8-16-40(30)46)23-31(35)33-21-25(17-19-41(33)47(49)50)45-37-13-5-1-9-27(37)28-10-2-6-14-38(28)45/h1-24,48H.
What are the key properties of 4-carbazol-9-yl-2-[5-(5-carbazol-9-yl-2-nitrophenyl)-2,4-difluorophenyl]phenol?
4-carbazol-9-yl-2-[5-(5-carbazol-9-yl-2-nitrophenyl)-2,4-difluorophenyl]phenol has a molecular weight of 657.68 g/mol, XLogP of 11.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-2-[5-(5-carbazol-9-yl-2-nitrophenyl)-2,4-difluorophenyl]phenol is sourced from PubChem (CID 59146973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).