3-fluoro-6-[6-[6-fluoro-9-(2-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-fluorophenyl)carbazole

C48H27F4N3 — CID 59306816

IUPAC3-fluoro-6-[6-[6-fluoro-9-(2-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-fluorophenyl)carbazole
SMILESFc1ccc2c(c1)c1cc(-c3ccc4[nH]c5ccc(-c6ccc7c(c6)c6cc(F)ccc6n7-c6ccccc6F)cc5c4c3)ccc1n2-c1ccccc1F
InChIInChI=1S/C48H27F4N3/c49-31-13-19-45-37(25-31)35-23-29(11-17-43(35)54(45)47-7-3-1-5-39(47)51)27-9-15-41-33(21-27)34-22-28(10-16-42(34)53-41)30-12-18-44-36(24-30)38-26-32(50)14-20-46(38)55(44)48-8-4-2-6-40(48)52/h1-26,53H
InChIKeyMAMSMCDTRSSCQE-UHFFFAOYSA-N
MW721.76 g/mol
LogP13.41
Rot. Bonds4

About 3-fluoro-6-[6-[6-fluoro-9-(2-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-fluorophenyl)carbazole

3-fluoro-6-[6-[6-fluoro-9-(2-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-fluorophenyl)carbazole (PubChem CID 59306816) 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-(2-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-fluorophenyl)carbazole.

Molecular Properties

Compound Name3-fluoro-6-[6-[6-fluoro-9-(2-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-fluorophenyl)carbazole
PubChem CID59306816
Molecular FormulaC48H27F4N3
Molecular Weight721.76 g/mol
Exact Mass721.21
IUPAC Name3-fluoro-6-[6-[6-fluoro-9-(2-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-fluorophenyl)carbazole
SMILESFc1ccc2c(c1)c1cc(-c3ccc4[nH]c5ccc(-c6ccc7c(c6)c6cc(F)ccc6n7-c6ccccc6F)cc5c4c3)ccc1n2-c1ccccc1F
InChIInChI=1S/C48H27F4N3/c49-31-13-19-45-37(25-31)35-23-29(11-17-43(35)54(45)47-7-3-1-5-39(47)51)27-9-15-41-33(21-27)34-22-28(10-16-42(34)53-41)30-12-18-44-36(24-30)38-26-32(50)14-20-46(38)55(44)48-8-4-2-6-40(48)52/h1-26,53H
InChIKeyMAMSMCDTRSSCQE-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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-[6-[6-fluoro-9-(2-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-fluorophenyl)carbazole?
The IUPAC name of 3-fluoro-6-[6-[6-fluoro-9-(2-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-fluorophenyl)carbazole (CID 59306816) is 3-fluoro-6-[6-[6-fluoro-9-(2-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-fluorophenyl)carbazole.
What is the SMILES notation for 3-fluoro-6-[6-[6-fluoro-9-(2-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-fluorophenyl)carbazole?
The canonical SMILES for 3-fluoro-6-[6-[6-fluoro-9-(2-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-fluorophenyl)carbazole is Fc1ccc2c(c1)c1cc(-c3ccc4[nH]c5ccc(-c6ccc7c(c6)c6cc(F)ccc6n7-c6ccccc6F)cc5c4c3)ccc1n2-c1ccccc1F.
What is the InChIKey of 3-fluoro-6-[6-[6-fluoro-9-(2-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-fluorophenyl)carbazole?
The InChIKey is MAMSMCDTRSSCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27F4N3/c49-31-13-19-45-37(25-31)35-23-29(11-17-43(35)54(45)47-7-3-1-5-39(47)51)27-9-15-41-33(21-27)34-22-28(10-16-42(34)53-41)30-12-18-44-36(24-30)38-26-32(50)14-20-46(38)55(44)48-8-4-2-6-40(48)52/h1-26,53H.
What are the key properties of 3-fluoro-6-[6-[6-fluoro-9-(2-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-fluorophenyl)carbazole?
3-fluoro-6-[6-[6-fluoro-9-(2-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-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-(2-fluorophenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-fluorophenyl)carbazole is sourced from PubChem (CID 59306816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).