9-[3-[4-(3-carbazol-9-yl-2-fluorophenyl)-2,5-dimethoxyphenyl]-2-fluorophenyl]carbazole

C44H30F2N2O2 — CID 59147030

IUPAC9-[3-[4-(3-carbazol-9-yl-2-fluorophenyl)-2,5-dimethoxyphenyl]-2-fluorophenyl]carbazole
SMILESCOc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2F)c(OC)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1F
InChIInChI=1S/C44H30F2N2O2/c1-49-41-25-34(32-18-12-24-40(44(32)46)48-37-21-9-5-15-29(37)30-16-6-10-22-38(30)48)42(50-2)26-33(41)31-17-11-23-39(43(31)45)47-35-19-7-3-13-27(35)28-14-4-8-20-36(28)47/h3-26H,1-2H3
InChIKeyNJEDDDNEMWBSIY-UHFFFAOYSA-N
MW656.73 g/mol
LogP11.51
Rot. Bonds6

About 9-[3-[4-(3-carbazol-9-yl-2-fluorophenyl)-2,5-dimethoxyphenyl]-2-fluorophenyl]carbazole

9-[3-[4-(3-carbazol-9-yl-2-fluorophenyl)-2,5-dimethoxyphenyl]-2-fluorophenyl]carbazole (PubChem CID 59147030) has the molecular formula C44H30F2N2O2 and a molecular weight of 656.73 g/mol. Its IUPAC name is 9-[3-[4-(3-carbazol-9-yl-2-fluorophenyl)-2,5-dimethoxyphenyl]-2-fluorophenyl]carbazole.

Molecular Properties

Compound Name9-[3-[4-(3-carbazol-9-yl-2-fluorophenyl)-2,5-dimethoxyphenyl]-2-fluorophenyl]carbazole
PubChem CID59147030
Molecular FormulaC44H30F2N2O2
Molecular Weight656.73 g/mol
Exact Mass656.23
IUPAC Name9-[3-[4-(3-carbazol-9-yl-2-fluorophenyl)-2,5-dimethoxyphenyl]-2-fluorophenyl]carbazole
SMILESCOc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2F)c(OC)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1F
InChIInChI=1S/C44H30F2N2O2/c1-49-41-25-34(32-18-12-24-40(44(32)46)48-37-21-9-5-15-29(37)30-16-6-10-22-38(30)48)42(50-2)26-33(41)31-17-11-23-39(43(31)45)47-35-19-7-3-13-27(35)28-14-4-8-20-36(28)47/h3-26H,1-2H3
InChIKeyNJEDDDNEMWBSIY-UHFFFAOYSA-N
XLogP11.51
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.73
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(3-carbazol-9-yl-2-fluorophenyl)-2,5-dimethoxyphenyl]-2-fluorophenyl]carbazole?
The IUPAC name of 9-[3-[4-(3-carbazol-9-yl-2-fluorophenyl)-2,5-dimethoxyphenyl]-2-fluorophenyl]carbazole (CID 59147030) is 9-[3-[4-(3-carbazol-9-yl-2-fluorophenyl)-2,5-dimethoxyphenyl]-2-fluorophenyl]carbazole.
What is the SMILES notation for 9-[3-[4-(3-carbazol-9-yl-2-fluorophenyl)-2,5-dimethoxyphenyl]-2-fluorophenyl]carbazole?
The canonical SMILES for 9-[3-[4-(3-carbazol-9-yl-2-fluorophenyl)-2,5-dimethoxyphenyl]-2-fluorophenyl]carbazole is COc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2F)c(OC)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1F.
What is the InChIKey of 9-[3-[4-(3-carbazol-9-yl-2-fluorophenyl)-2,5-dimethoxyphenyl]-2-fluorophenyl]carbazole?
The InChIKey is NJEDDDNEMWBSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30F2N2O2/c1-49-41-25-34(32-18-12-24-40(44(32)46)48-37-21-9-5-15-29(37)30-16-6-10-22-38(30)48)42(50-2)26-33(41)31-17-11-23-39(43(31)45)47-35-19-7-3-13-27(35)28-14-4-8-20-36(28)47/h3-26H,1-2H3.
What are the key properties of 9-[3-[4-(3-carbazol-9-yl-2-fluorophenyl)-2,5-dimethoxyphenyl]-2-fluorophenyl]carbazole?
9-[3-[4-(3-carbazol-9-yl-2-fluorophenyl)-2,5-dimethoxyphenyl]-2-fluorophenyl]carbazole has a molecular weight of 656.73 g/mol, XLogP of 11.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(3-carbazol-9-yl-2-fluorophenyl)-2,5-dimethoxyphenyl]-2-fluorophenyl]carbazole is sourced from PubChem (CID 59147030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).