3-fluoro-6-[6-[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(4-fluorophenyl)carbazole

C48H27F4N3 — CID 59306788

IUPAC3-fluoro-6-[6-[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(4-fluorophenyl)carbazole
SMILESFc1ccc(-n2c3ccc(F)cc3c3cc(-c4ccc5[nH]c6ccc(-c7ccc8c(c7)c7cc(F)ccc7n8-c7ccc(F)cc7)cc6c5c4)ccc32)cc1
InChIInChI=1S/C48H27F4N3/c49-31-5-11-35(12-6-31)54-45-17-3-29(23-39(45)41-25-33(51)9-19-47(41)54)27-1-15-43-37(21-27)38-22-28(2-16-44(38)53-43)30-4-18-46-40(24-30)42-26-34(52)10-20-48(42)55(46)36-13-7-32(50)8-14-36/h1-26,53H
InChIKeyQHEAKDONLHORAY-UHFFFAOYSA-N
MW721.76 g/mol
LogP13.41
Rot. Bonds4

About 3-fluoro-6-[6-[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(4-fluorophenyl)carbazole

3-fluoro-6-[6-[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(4-fluorophenyl)carbazole (PubChem CID 59306788) has the molecular formula C48H27F4N3 and a molecular weight of 721.76 g/mol. Its IUPAC name is 3-fluoro-6-[6-[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(4-fluorophenyl)carbazole.

Molecular Properties

Compound Name3-fluoro-6-[6-[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(4-fluorophenyl)carbazole
PubChem CID59306788
Molecular FormulaC48H27F4N3
Molecular Weight721.76 g/mol
Exact Mass721.21
IUPAC Name3-fluoro-6-[6-[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(4-fluorophenyl)carbazole
SMILESFc1ccc(-n2c3ccc(F)cc3c3cc(-c4ccc5[nH]c6ccc(-c7ccc8c(c7)c7cc(F)ccc7n8-c7ccc(F)cc7)cc6c5c4)ccc32)cc1
InChIInChI=1S/C48H27F4N3/c49-31-5-11-35(12-6-31)54-45-17-3-29(23-39(45)41-25-33(51)9-19-47(41)54)27-1-15-43-37(21-27)38-22-28(2-16-44(38)53-43)30-4-18-46-40(24-30)42-26-34(52)10-20-48(42)55(46)36-13-7-32(50)8-14-36/h1-26,53H
InChIKeyQHEAKDONLHORAY-UHFFFAOYSA-N
XLogP13.41
TPSA25.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.76
LogP ≤ 513.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(trifluoromethyl)-9H-carbazole
CID 42611896
5,12-Dihydroindolo[3,2-a]carbazole
CID 4713445
5,10,15,20-Tetrakis(pentafluorophenyl)porphyrin
CID 135401562
3-methyl-6-(trifluoromethyl)-9H-carbazole
CID 46855064
(3E)-2-phenyl-3-[(2-phenyl-1H-indol-3-yl)methylidene]indole
CID 5762378
N-((6-Fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl)-4,4-bis(4-fluorophenyl)butan-1-amine
CID 139035043
Indoles
CID 139191468
3-Phenyl-9H-carbazole
CID 13497473
Tetrabenzoporphine
CID 135437216
5,7-Dihydroindolo(2,3-b)carbazole
CID 10332633
4,4'-Bis(9H-carbazol-9-yl)biphenyl
CID 11248716
3,9'-Bicarbazole
CID 13236022

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-[6-[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(4-fluorophenyl)carbazole?
The IUPAC name of 3-fluoro-6-[6-[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(4-fluorophenyl)carbazole (CID 59306788) is 3-fluoro-6-[6-[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(4-fluorophenyl)carbazole.
What is the SMILES notation for 3-fluoro-6-[6-[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(4-fluorophenyl)carbazole?
The canonical SMILES for 3-fluoro-6-[6-[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(4-fluorophenyl)carbazole is Fc1ccc(-n2c3ccc(F)cc3c3cc(-c4ccc5[nH]c6ccc(-c7ccc8c(c7)c7cc(F)ccc7n8-c7ccc(F)cc7)cc6c5c4)ccc32)cc1.
What is the InChIKey of 3-fluoro-6-[6-[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(4-fluorophenyl)carbazole?
The InChIKey is QHEAKDONLHORAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27F4N3/c49-31-5-11-35(12-6-31)54-45-17-3-29(23-39(45)41-25-33(51)9-19-47(41)54)27-1-15-43-37(21-27)38-22-28(2-16-44(38)53-43)30-4-18-46-40(24-30)42-26-34(52)10-20-48(42)55(46)36-13-7-32(50)8-14-36/h1-26,53H.
What are the key properties of 3-fluoro-6-[6-[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(4-fluorophenyl)carbazole?
3-fluoro-6-[6-[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(4-fluorophenyl)carbazole has a molecular weight of 721.76 g/mol, XLogP of 13.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-[6-[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(4-fluorophenyl)carbazole is sourced from PubChem (CID 59306788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).