9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-3,6-difluorocarbazole

C48H26F4N4 — CID 59357172

IUPAC9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-3,6-difluorocarbazole
SMILESFc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc2c(-c3ccccn3)c3cc(-n4c5ccc(F)cc5c5cc(F)ccc54)ccc3c(-c3ccccn3)c2c1
InChIInChI=1S/C48H26F4N4/c49-27-7-15-43-35(21-27)36-22-28(50)8-16-44(36)55(43)31-12-14-34-39(25-31)47(41-5-1-3-19-53-41)33-13-11-32(26-40(33)48(34)42-6-2-4-20-54-42)56-45-17-9-29(51)23-37(45)38-24-30(52)10-18-46(38)56/h1-26H
InChIKeyCYHAWRTZKNGOTN-UHFFFAOYSA-N
MW734.76 g/mol
LogP12.87
Rot. Bonds4

About 9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-3,6-difluorocarbazole

9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-3,6-difluorocarbazole (PubChem CID 59357172) has the molecular formula C48H26F4N4 and a molecular weight of 734.76 g/mol. Its IUPAC name is 9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-3,6-difluorocarbazole.

Molecular Properties

Compound Name9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-3,6-difluorocarbazole
PubChem CID59357172
Molecular FormulaC48H26F4N4
Molecular Weight734.76 g/mol
Exact Mass734.21
IUPAC Name9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-3,6-difluorocarbazole
SMILESFc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc2c(-c3ccccn3)c3cc(-n4c5ccc(F)cc5c5cc(F)ccc54)ccc3c(-c3ccccn3)c2c1
InChIInChI=1S/C48H26F4N4/c49-27-7-15-43-35(21-27)36-22-28(50)8-16-44(36)55(43)31-12-14-34-39(25-31)47(41-5-1-3-19-53-41)33-13-11-32(26-40(33)48(34)42-6-2-4-20-54-42)56-45-17-9-29(51)23-37(45)38-24-30(52)10-18-46(38)56/h1-26H
InChIKeyCYHAWRTZKNGOTN-UHFFFAOYSA-N
XLogP12.87
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.76
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-3,6-difluorocarbazole?
The IUPAC name of 9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-3,6-difluorocarbazole (CID 59357172) is 9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-3,6-difluorocarbazole.
What is the SMILES notation for 9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-3,6-difluorocarbazole?
The canonical SMILES for 9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-3,6-difluorocarbazole is Fc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc2c(-c3ccccn3)c3cc(-n4c5ccc(F)cc5c5cc(F)ccc54)ccc3c(-c3ccccn3)c2c1.
What is the InChIKey of 9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-3,6-difluorocarbazole?
The InChIKey is CYHAWRTZKNGOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H26F4N4/c49-27-7-15-43-35(21-27)36-22-28(50)8-16-44(36)55(43)31-12-14-34-39(25-31)47(41-5-1-3-19-53-41)33-13-11-32(26-40(33)48(34)42-6-2-4-20-54-42)56-45-17-9-29(51)23-37(45)38-24-30(52)10-18-46(38)56/h1-26H.
What are the key properties of 9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-3,6-difluorocarbazole?
9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-3,6-difluorocarbazole has a molecular weight of 734.76 g/mol, XLogP of 12.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-3,6-difluorocarbazole is sourced from PubChem (CID 59357172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).