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

C42H25F2N3O3 — CID 59146926

IUPAC4-carbazol-9-yl-2-[4-(5-carbazol-9-yl-2-nitrophenyl)-2,5-difluorophenyl]phenol
SMILESO=[N+]([O-])c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(F)c(-c2cc(-n3c4ccccc4c4ccccc43)ccc2O)cc1F
InChIInChI=1S/C42H25F2N3O3/c43-35-24-32(34-22-26(18-20-42(34)48)46-39-15-7-3-11-29(39)30-12-4-8-16-40(30)46)36(44)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
InChIKeyBQLMBZDWNFQSMR-UHFFFAOYSA-N
MW657.68 g/mol
LogP11.11
Rot. Bonds5

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

4-carbazol-9-yl-2-[4-(5-carbazol-9-yl-2-nitrophenyl)-2,5-difluorophenyl]phenol (PubChem CID 59146926) has the molecular formula C42H25F2N3O3 and a molecular weight of 657.68 g/mol. Its IUPAC name is 4-carbazol-9-yl-2-[4-(5-carbazol-9-yl-2-nitrophenyl)-2,5-difluorophenyl]phenol.

Molecular Properties

Compound Name4-carbazol-9-yl-2-[4-(5-carbazol-9-yl-2-nitrophenyl)-2,5-difluorophenyl]phenol
PubChem CID59146926
Molecular FormulaC42H25F2N3O3
Molecular Weight657.68 g/mol
Exact Mass657.19
IUPAC Name4-carbazol-9-yl-2-[4-(5-carbazol-9-yl-2-nitrophenyl)-2,5-difluorophenyl]phenol
SMILESO=[N+]([O-])c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(F)c(-c2cc(-n3c4ccccc4c4ccccc43)ccc2O)cc1F
InChIInChI=1S/C42H25F2N3O3/c43-35-24-32(34-22-26(18-20-42(34)48)46-39-15-7-3-11-29(39)30-12-4-8-16-40(30)46)36(44)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
InChIKeyBQLMBZDWNFQSMR-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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Related Compounds

9-(3-naphthalen-1-yl-4-nitrophenyl)carbazole
CID 121299787
2-[2-(2-amino-5-carbazol-9-ylphenyl)-3,6-difluorophenyl]-4-carbazol-9-ylphenol
CID 59147285
6-(4-fluoro-3-nitrophenyl)benzo[d][2]benzazepine-5,7-dione
CID 4592242
4-(5-bromo-2-nitrophenyl)-9-triphenylen-2-ylcarbazole
CID 178110346
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
3-nitro-9-(4-nitrophenyl)carbazole
CID 23847398
2,6-di(carbazol-9-yl)anthracene-9,10-dione
CID 23584855
5-carbazol-9-yl-2-[6-carbazol-9-yl-1-(2-fluorophenyl)carbazol-9-yl]phenol
CID 177285213
3-naphthalen-1-yl-4-nitrophenol
CID 57178069
4-nitronaphthalene-1,2-diol
CID 54339442
9-[4-(2,4-difluorophenyl)phenyl]carbazole
CID 122431328
3-nitro-9-phenylcarbazole;9-phenylcarbazole
CID 159323942

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-2-[4-(5-carbazol-9-yl-2-nitrophenyl)-2,5-difluorophenyl]phenol?
The IUPAC name of 4-carbazol-9-yl-2-[4-(5-carbazol-9-yl-2-nitrophenyl)-2,5-difluorophenyl]phenol (CID 59146926) is 4-carbazol-9-yl-2-[4-(5-carbazol-9-yl-2-nitrophenyl)-2,5-difluorophenyl]phenol.
What is the SMILES notation for 4-carbazol-9-yl-2-[4-(5-carbazol-9-yl-2-nitrophenyl)-2,5-difluorophenyl]phenol?
The canonical SMILES for 4-carbazol-9-yl-2-[4-(5-carbazol-9-yl-2-nitrophenyl)-2,5-difluorophenyl]phenol is O=[N+]([O-])c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(F)c(-c2cc(-n3c4ccccc4c4ccccc43)ccc2O)cc1F.
What is the InChIKey of 4-carbazol-9-yl-2-[4-(5-carbazol-9-yl-2-nitrophenyl)-2,5-difluorophenyl]phenol?
The InChIKey is BQLMBZDWNFQSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25F2N3O3/c43-35-24-32(34-22-26(18-20-42(34)48)46-39-15-7-3-11-29(39)30-12-4-8-16-40(30)46)36(44)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-[4-(5-carbazol-9-yl-2-nitrophenyl)-2,5-difluorophenyl]phenol?
4-carbazol-9-yl-2-[4-(5-carbazol-9-yl-2-nitrophenyl)-2,5-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-[4-(5-carbazol-9-yl-2-nitrophenyl)-2,5-difluorophenyl]phenol is sourced from PubChem (CID 59146926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).