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

C50H34F2N2O2 — CID 141357737

IUPAC9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methoxyphenyl]-4-methoxyphenyl]carbazole
SMILESCOc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2)cc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2)ccc1OC
InChIInChI=1S/C50H34F2N2O2/c1-55-49-25-13-33(31-11-23-47-41(27-31)39-7-3-5-9-45(39)53(47)37-19-15-35(51)16-20-37)29-43(49)44-30-34(14-26-50(44)56-2)32-12-24-48-42(28-32)40-8-4-6-10-46(40)54(48)38-21-17-36(52)18-22-38/h3-30H,1-2H3
InChIKeyHAWVDYFQWQAEKJ-UHFFFAOYSA-N
MW732.83 g/mol
LogP13.18
Rot. Bonds7

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

9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methoxyphenyl]-4-methoxyphenyl]carbazole (PubChem CID 141357737) has the molecular formula C50H34F2N2O2 and a molecular weight of 732.83 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methoxyphenyl]-4-methoxyphenyl]carbazole.

Molecular Properties

Compound Name9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methoxyphenyl]-4-methoxyphenyl]carbazole
PubChem CID141357737
Molecular FormulaC50H34F2N2O2
Molecular Weight732.83 g/mol
Exact Mass732.26
IUPAC Name9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methoxyphenyl]-4-methoxyphenyl]carbazole
SMILESCOc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2)cc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2)ccc1OC
InChIInChI=1S/C50H34F2N2O2/c1-55-49-25-13-33(31-11-23-47-41(27-31)39-7-3-5-9-45(39)53(47)37-19-15-35(51)16-20-37)29-43(49)44-30-34(14-26-50(44)56-2)32-12-24-48-42(28-32)40-8-4-6-10-46(40)54(48)38-21-17-36(52)18-22-38/h3-30H,1-2H3
InChIKeyHAWVDYFQWQAEKJ-UHFFFAOYSA-N
XLogP13.18
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.83
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methoxyphenyl]-4-methoxyphenyl]carbazole?
The IUPAC name of 9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methoxyphenyl]-4-methoxyphenyl]carbazole (CID 141357737) is 9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methoxyphenyl]-4-methoxyphenyl]carbazole.
What is the SMILES notation for 9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methoxyphenyl]-4-methoxyphenyl]carbazole?
The canonical SMILES for 9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methoxyphenyl]-4-methoxyphenyl]carbazole is COc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2)cc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2)ccc1OC.
What is the InChIKey of 9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methoxyphenyl]-4-methoxyphenyl]carbazole?
The InChIKey is HAWVDYFQWQAEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34F2N2O2/c1-55-49-25-13-33(31-11-23-47-41(27-31)39-7-3-5-9-45(39)53(47)37-19-15-35(51)16-20-37)29-43(49)44-30-34(14-26-50(44)56-2)32-12-24-48-42(28-32)40-8-4-6-10-46(40)54(48)38-21-17-36(52)18-22-38/h3-30H,1-2H3.
What are the key properties of 9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methoxyphenyl]-4-methoxyphenyl]carbazole?
9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methoxyphenyl]-4-methoxyphenyl]carbazole has a molecular weight of 732.83 g/mol, XLogP of 13.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methoxyphenyl]-4-methoxyphenyl]carbazole is sourced from PubChem (CID 141357737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).