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

C43H27F2N3O3 — CID 59147199

IUPAC9-[3-[4-(5-carbazol-9-yl-2-methoxyphenyl)-2,5-difluorophenyl]-4-nitrophenyl]carbazole
SMILESCOc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(F)c(-c2cc(-n3c4ccccc4c4ccccc43)ccc2[N+](=O)[O-])cc1F
InChIInChI=1S/C43H27F2N3O3/c1-51-43-21-19-27(47-40-16-8-4-12-30(40)31-13-5-9-17-41(31)47)23-35(43)33-25-36(44)32(24-37(33)45)34-22-26(18-20-42(34)48(49)50)46-38-14-6-2-10-28(38)29-11-3-7-15-39(29)46/h2-25H,1H3
InChIKeyUINAQQVWSJEVOR-UHFFFAOYSA-N
MW671.70 g/mol
LogP11.41
Rot. Bonds6

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

9-[3-[4-(5-carbazol-9-yl-2-methoxyphenyl)-2,5-difluorophenyl]-4-nitrophenyl]carbazole (PubChem CID 59147199) has the molecular formula C43H27F2N3O3 and a molecular weight of 671.70 g/mol. Its IUPAC name is 9-[3-[4-(5-carbazol-9-yl-2-methoxyphenyl)-2,5-difluorophenyl]-4-nitrophenyl]carbazole.

Molecular Properties

Compound Name9-[3-[4-(5-carbazol-9-yl-2-methoxyphenyl)-2,5-difluorophenyl]-4-nitrophenyl]carbazole
PubChem CID59147199
Molecular FormulaC43H27F2N3O3
Molecular Weight671.70 g/mol
Exact Mass671.20
IUPAC Name9-[3-[4-(5-carbazol-9-yl-2-methoxyphenyl)-2,5-difluorophenyl]-4-nitrophenyl]carbazole
SMILESCOc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(F)c(-c2cc(-n3c4ccccc4c4ccccc43)ccc2[N+](=O)[O-])cc1F
InChIInChI=1S/C43H27F2N3O3/c1-51-43-21-19-27(47-40-16-8-4-12-30(40)31-13-5-9-17-41(31)47)23-35(43)33-25-36(44)32(24-37(33)45)34-22-26(18-20-42(34)48(49)50)46-38-14-6-2-10-28(38)29-11-3-7-15-39(29)46/h2-25H,1H3
InChIKeyUINAQQVWSJEVOR-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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Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(5-carbazol-9-yl-2-methoxyphenyl)-2,5-difluorophenyl]-4-nitrophenyl]carbazole?
The IUPAC name of 9-[3-[4-(5-carbazol-9-yl-2-methoxyphenyl)-2,5-difluorophenyl]-4-nitrophenyl]carbazole (CID 59147199) is 9-[3-[4-(5-carbazol-9-yl-2-methoxyphenyl)-2,5-difluorophenyl]-4-nitrophenyl]carbazole.
What is the SMILES notation for 9-[3-[4-(5-carbazol-9-yl-2-methoxyphenyl)-2,5-difluorophenyl]-4-nitrophenyl]carbazole?
The canonical SMILES for 9-[3-[4-(5-carbazol-9-yl-2-methoxyphenyl)-2,5-difluorophenyl]-4-nitrophenyl]carbazole is COc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(F)c(-c2cc(-n3c4ccccc4c4ccccc43)ccc2[N+](=O)[O-])cc1F.
What is the InChIKey of 9-[3-[4-(5-carbazol-9-yl-2-methoxyphenyl)-2,5-difluorophenyl]-4-nitrophenyl]carbazole?
The InChIKey is UINAQQVWSJEVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27F2N3O3/c1-51-43-21-19-27(47-40-16-8-4-12-30(40)31-13-5-9-17-41(31)47)23-35(43)33-25-36(44)32(24-37(33)45)34-22-26(18-20-42(34)48(49)50)46-38-14-6-2-10-28(38)29-11-3-7-15-39(29)46/h2-25H,1H3.
What are the key properties of 9-[3-[4-(5-carbazol-9-yl-2-methoxyphenyl)-2,5-difluorophenyl]-4-nitrophenyl]carbazole?
9-[3-[4-(5-carbazol-9-yl-2-methoxyphenyl)-2,5-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-[4-(5-carbazol-9-yl-2-methoxyphenyl)-2,5-difluorophenyl]-4-nitrophenyl]carbazole is sourced from PubChem (CID 59147199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).