2-[5-(2-amino-5-carbazol-9-ylphenyl)-2,4-difluorophenyl]-4-carbazol-9-ylphenol

C42H27F2N3O — CID 59147031

IUPAC2-[5-(2-amino-5-carbazol-9-ylphenyl)-2,4-difluorophenyl]-4-carbazol-9-ylphenol
SMILESNc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2O)c(F)cc1F
InChIInChI=1S/C42H27F2N3O/c43-35-24-36(44)32(34-22-26(18-20-42(34)48)47-40-15-7-3-11-29(40)30-12-4-8-16-41(30)47)23-31(35)33-21-25(17-19-37(33)45)46-38-13-5-1-9-27(38)28-10-2-6-14-39(28)46/h1-24,48H,45H2
InChIKeyHABXVTYUUIZRIX-UHFFFAOYSA-N
MW627.69 g/mol
LogP10.78
Rot. Bonds4

About 2-[5-(2-amino-5-carbazol-9-ylphenyl)-2,4-difluorophenyl]-4-carbazol-9-ylphenol

2-[5-(2-amino-5-carbazol-9-ylphenyl)-2,4-difluorophenyl]-4-carbazol-9-ylphenol (PubChem CID 59147031) has the molecular formula C42H27F2N3O and a molecular weight of 627.69 g/mol. Its IUPAC name is 2-[5-(2-amino-5-carbazol-9-ylphenyl)-2,4-difluorophenyl]-4-carbazol-9-ylphenol.

Molecular Properties

Compound Name2-[5-(2-amino-5-carbazol-9-ylphenyl)-2,4-difluorophenyl]-4-carbazol-9-ylphenol
PubChem CID59147031
Molecular FormulaC42H27F2N3O
Molecular Weight627.69 g/mol
Exact Mass627.21
IUPAC Name2-[5-(2-amino-5-carbazol-9-ylphenyl)-2,4-difluorophenyl]-4-carbazol-9-ylphenol
SMILESNc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2O)c(F)cc1F
InChIInChI=1S/C42H27F2N3O/c43-35-24-36(44)32(34-22-26(18-20-42(34)48)47-40-15-7-3-11-29(40)30-12-4-8-16-41(30)47)23-31(35)33-21-25(17-19-37(33)45)46-38-13-5-1-9-27(38)28-10-2-6-14-39(28)46/h1-24,48H,45H2
InChIKeyHABXVTYUUIZRIX-UHFFFAOYSA-N
XLogP10.78
TPSA56.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.69
LogP ≤ 510.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-amino-5-carbazol-9-ylphenyl)-2,4-difluorophenyl]-4-carbazol-9-ylphenol?
The IUPAC name of 2-[5-(2-amino-5-carbazol-9-ylphenyl)-2,4-difluorophenyl]-4-carbazol-9-ylphenol (CID 59147031) is 2-[5-(2-amino-5-carbazol-9-ylphenyl)-2,4-difluorophenyl]-4-carbazol-9-ylphenol.
What is the SMILES notation for 2-[5-(2-amino-5-carbazol-9-ylphenyl)-2,4-difluorophenyl]-4-carbazol-9-ylphenol?
The canonical SMILES for 2-[5-(2-amino-5-carbazol-9-ylphenyl)-2,4-difluorophenyl]-4-carbazol-9-ylphenol is Nc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2O)c(F)cc1F.
What is the InChIKey of 2-[5-(2-amino-5-carbazol-9-ylphenyl)-2,4-difluorophenyl]-4-carbazol-9-ylphenol?
The InChIKey is HABXVTYUUIZRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27F2N3O/c43-35-24-36(44)32(34-22-26(18-20-42(34)48)47-40-15-7-3-11-29(40)30-12-4-8-16-41(30)47)23-31(35)33-21-25(17-19-37(33)45)46-38-13-5-1-9-27(38)28-10-2-6-14-39(28)46/h1-24,48H,45H2.
What are the key properties of 2-[5-(2-amino-5-carbazol-9-ylphenyl)-2,4-difluorophenyl]-4-carbazol-9-ylphenol?
2-[5-(2-amino-5-carbazol-9-ylphenyl)-2,4-difluorophenyl]-4-carbazol-9-ylphenol has a molecular weight of 627.69 g/mol, XLogP of 10.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-amino-5-carbazol-9-ylphenyl)-2,4-difluorophenyl]-4-carbazol-9-ylphenol is sourced from PubChem (CID 59147031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).