2-[2-(2-amino-5-carbazol-9-ylphenyl)-3,6-difluorophenyl]-4-carbazol-9-ylphenol

C42H27F2N3O — CID 59147285

IUPAC2-[2-(2-amino-5-carbazol-9-ylphenyl)-3,6-difluorophenyl]-4-carbazol-9-ylphenol
SMILESNc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1c(F)ccc(F)c1-c1cc(-n2c3ccccc3c3ccccc32)ccc1O
InChIInChI=1S/C42H27F2N3O/c43-33-19-20-34(44)42(32-24-26(18-22-40(32)48)47-38-15-7-3-11-29(38)30-12-4-8-16-39(30)47)41(33)31-23-25(17-21-35(31)45)46-36-13-5-1-9-27(36)28-10-2-6-14-37(28)46/h1-24,48H,45H2
InChIKeyBTVOOECZTKNRKB-UHFFFAOYSA-N
MW627.69 g/mol
LogP10.78
Rot. Bonds4

About 2-[2-(2-amino-5-carbazol-9-ylphenyl)-3,6-difluorophenyl]-4-carbazol-9-ylphenol

2-[2-(2-amino-5-carbazol-9-ylphenyl)-3,6-difluorophenyl]-4-carbazol-9-ylphenol (PubChem CID 59147285) has the molecular formula C42H27F2N3O and a molecular weight of 627.69 g/mol. Its IUPAC name is 2-[2-(2-amino-5-carbazol-9-ylphenyl)-3,6-difluorophenyl]-4-carbazol-9-ylphenol.

Molecular Properties

Compound Name2-[2-(2-amino-5-carbazol-9-ylphenyl)-3,6-difluorophenyl]-4-carbazol-9-ylphenol
PubChem CID59147285
Molecular FormulaC42H27F2N3O
Molecular Weight627.69 g/mol
Exact Mass627.21
IUPAC Name2-[2-(2-amino-5-carbazol-9-ylphenyl)-3,6-difluorophenyl]-4-carbazol-9-ylphenol
SMILESNc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1c(F)ccc(F)c1-c1cc(-n2c3ccccc3c3ccccc32)ccc1O
InChIInChI=1S/C42H27F2N3O/c43-33-19-20-34(44)42(32-24-26(18-22-40(32)48)47-38-15-7-3-11-29(38)30-12-4-8-16-39(30)47)41(33)31-23-25(17-21-35(31)45)46-36-13-5-1-9-27(36)28-10-2-6-14-37(28)46/h1-24,48H,45H2
InChIKeyBTVOOECZTKNRKB-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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Related Compounds

4-carbazol-9-yl-2-[4-(5-carbazol-9-yl-2-nitrophenyl)-2,5-difluorophenyl]phenol
CID 59146926
5-carbazol-9-yl-2-[6-carbazol-9-yl-1-(2-fluorophenyl)carbazol-9-yl]phenol
CID 177285213
9-[4-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]phenyl]phenyl]carbazole
CID 59629480
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorophenyl]phenyl]carbazole
CID 102109316
20-(4-bromo-3-fluorophenyl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 172522385
9-[4-[10-(2-fluorophenyl)anthracen-9-yl]phenyl]carbazole
CID 58163334
2-[9-(4-methylphenyl)carbazol-2-yl]phenol
CID 118682159
3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole
CID 168811183
2,6-di(carbazol-9-yl)anthracene-9,10-dione
CID 23584855
9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole
CID 59464809
9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole
CID 122548627
9-[4-[10-(2,6-difluorophenyl)anthracen-9-yl]phenyl]carbazole
CID 58163314

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-5-carbazol-9-ylphenyl)-3,6-difluorophenyl]-4-carbazol-9-ylphenol?
The IUPAC name of 2-[2-(2-amino-5-carbazol-9-ylphenyl)-3,6-difluorophenyl]-4-carbazol-9-ylphenol (CID 59147285) is 2-[2-(2-amino-5-carbazol-9-ylphenyl)-3,6-difluorophenyl]-4-carbazol-9-ylphenol.
What is the SMILES notation for 2-[2-(2-amino-5-carbazol-9-ylphenyl)-3,6-difluorophenyl]-4-carbazol-9-ylphenol?
The canonical SMILES for 2-[2-(2-amino-5-carbazol-9-ylphenyl)-3,6-difluorophenyl]-4-carbazol-9-ylphenol is Nc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1c(F)ccc(F)c1-c1cc(-n2c3ccccc3c3ccccc32)ccc1O.
What is the InChIKey of 2-[2-(2-amino-5-carbazol-9-ylphenyl)-3,6-difluorophenyl]-4-carbazol-9-ylphenol?
The InChIKey is BTVOOECZTKNRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27F2N3O/c43-33-19-20-34(44)42(32-24-26(18-22-40(32)48)47-38-15-7-3-11-29(38)30-12-4-8-16-39(30)47)41(33)31-23-25(17-21-35(31)45)46-36-13-5-1-9-27(36)28-10-2-6-14-37(28)46/h1-24,48H,45H2.
What are the key properties of 2-[2-(2-amino-5-carbazol-9-ylphenyl)-3,6-difluorophenyl]-4-carbazol-9-ylphenol?
2-[2-(2-amino-5-carbazol-9-ylphenyl)-3,6-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-[2-(2-amino-5-carbazol-9-ylphenyl)-3,6-difluorophenyl]-4-carbazol-9-ylphenol is sourced from PubChem (CID 59147285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).