9-[3-[2-(5-carbazol-9-yl-2-methoxyphenyl)-3,6-difluorophenyl]-4-nitrophenyl]carbazole

C43H27F2N3O3 — CID 59147499

IUPAC9-[3-[2-(5-carbazol-9-yl-2-methoxyphenyl)-3,6-difluorophenyl]-4-nitrophenyl]carbazole
SMILESCOc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1c(F)ccc(F)c1-c1cc(-n2c3ccccc3c3ccccc32)ccc1[N+](=O)[O-]
InChIInChI=1S/C43H27F2N3O3/c1-51-41-23-19-27(47-38-16-8-4-12-30(38)31-13-5-9-17-39(31)47)25-33(41)43-35(45)21-20-34(44)42(43)32-24-26(18-22-40(32)48(49)50)46-36-14-6-2-10-28(36)29-11-3-7-15-37(29)46/h2-25H,1H3
InChIKeyRXJGLGUIJLXXJL-UHFFFAOYSA-N
MW671.70 g/mol
LogP11.41
Rot. Bonds6

About 9-[3-[2-(5-carbazol-9-yl-2-methoxyphenyl)-3,6-difluorophenyl]-4-nitrophenyl]carbazole

9-[3-[2-(5-carbazol-9-yl-2-methoxyphenyl)-3,6-difluorophenyl]-4-nitrophenyl]carbazole (PubChem CID 59147499) has the molecular formula C43H27F2N3O3 and a molecular weight of 671.70 g/mol. Its IUPAC name is 9-[3-[2-(5-carbazol-9-yl-2-methoxyphenyl)-3,6-difluorophenyl]-4-nitrophenyl]carbazole.

Molecular Properties

Compound Name9-[3-[2-(5-carbazol-9-yl-2-methoxyphenyl)-3,6-difluorophenyl]-4-nitrophenyl]carbazole
PubChem CID59147499
Molecular FormulaC43H27F2N3O3
Molecular Weight671.70 g/mol
Exact Mass671.20
IUPAC Name9-[3-[2-(5-carbazol-9-yl-2-methoxyphenyl)-3,6-difluorophenyl]-4-nitrophenyl]carbazole
SMILESCOc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1c(F)ccc(F)c1-c1cc(-n2c3ccccc3c3ccccc32)ccc1[N+](=O)[O-]
InChIInChI=1S/C43H27F2N3O3/c1-51-41-23-19-27(47-38-16-8-4-12-30(38)31-13-5-9-17-39(31)47)25-33(41)43-35(45)21-20-34(44)42(43)32-24-26(18-22-40(32)48(49)50)46-36-14-6-2-10-28(36)29-11-3-7-15-37(29)46/h2-25H,1H3
InChIKeyRXJGLGUIJLXXJL-UHFFFAOYSA-N
XLogP11.41
TPSA62.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.70
LogP ≤ 511.41
H-Bond Donors ≤ 50
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

CID 141677659
CID 141677659
CID 154717251
CID 154717251
CID 59004612
CID 59004612
CID 59146926
CID 59146926
CID 59146973
CID 59146973
CID 59147030
CID 59147030
CID 59147199
CID 59147199
CID 59147285
CID 59147285
CID 59147392
CID 59147392
CID 59147408
CID 59147408
CID 59381381
CID 59381381
CID 59381416
CID 59381416

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-(5-carbazol-9-yl-2-methoxyphenyl)-3,6-difluorophenyl]-4-nitrophenyl]carbazole?
The IUPAC name of 9-[3-[2-(5-carbazol-9-yl-2-methoxyphenyl)-3,6-difluorophenyl]-4-nitrophenyl]carbazole (CID 59147499) is 9-[3-[2-(5-carbazol-9-yl-2-methoxyphenyl)-3,6-difluorophenyl]-4-nitrophenyl]carbazole.
What is the SMILES notation for 9-[3-[2-(5-carbazol-9-yl-2-methoxyphenyl)-3,6-difluorophenyl]-4-nitrophenyl]carbazole?
The canonical SMILES for 9-[3-[2-(5-carbazol-9-yl-2-methoxyphenyl)-3,6-difluorophenyl]-4-nitrophenyl]carbazole is COc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1c(F)ccc(F)c1-c1cc(-n2c3ccccc3c3ccccc32)ccc1[N+](=O)[O-].
What is the InChIKey of 9-[3-[2-(5-carbazol-9-yl-2-methoxyphenyl)-3,6-difluorophenyl]-4-nitrophenyl]carbazole?
The InChIKey is RXJGLGUIJLXXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27F2N3O3/c1-51-41-23-19-27(47-38-16-8-4-12-30(38)31-13-5-9-17-39(31)47)25-33(41)43-35(45)21-20-34(44)42(43)32-24-26(18-22-40(32)48(49)50)46-36-14-6-2-10-28(36)29-11-3-7-15-37(29)46/h2-25H,1H3.
What are the key properties of 9-[3-[2-(5-carbazol-9-yl-2-methoxyphenyl)-3,6-difluorophenyl]-4-nitrophenyl]carbazole?
9-[3-[2-(5-carbazol-9-yl-2-methoxyphenyl)-3,6-difluorophenyl]-4-nitrophenyl]carbazole has a molecular weight of 671.70 g/mol, XLogP of 11.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-(5-carbazol-9-yl-2-methoxyphenyl)-3,6-difluorophenyl]-4-nitrophenyl]carbazole is sourced from PubChem (CID 59147499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).