3-[9-(2-methylphenyl)carbazol-3-yl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazole

C50H32F3N3 — CID 59306869

IUPAC3-[9-(2-methylphenyl)carbazol-3-yl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazole
SMILESCc1ccccc1-n1c2ccccc2c2cc(-c3ccc4[nH]c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6C(F)(F)F)cc5c4c3)ccc21
InChIInChI=1S/C50H32F3N3/c1-30-10-2-6-14-44(30)55-45-15-7-3-11-35(45)39-28-33(20-24-47(39)55)31-18-22-42-37(26-31)38-27-32(19-23-43(38)54-42)34-21-25-48-40(29-34)36-12-4-8-16-46(36)56(48)49-17-9-5-13-41(49)50(51,52)53/h2-29,54H,1H3
InChIKeyOAXBFXWCBAPLAI-UHFFFAOYSA-N
MW731.82 g/mol
LogP14.18
Rot. Bonds4

About 3-[9-(2-methylphenyl)carbazol-3-yl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazole

3-[9-(2-methylphenyl)carbazol-3-yl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazole (PubChem CID 59306869) has the molecular formula C50H32F3N3 and a molecular weight of 731.82 g/mol. Its IUPAC name is 3-[9-(2-methylphenyl)carbazol-3-yl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazole.

Molecular Properties

Compound Name3-[9-(2-methylphenyl)carbazol-3-yl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazole
PubChem CID59306869
Molecular FormulaC50H32F3N3
Molecular Weight731.82 g/mol
Exact Mass731.25
IUPAC Name3-[9-(2-methylphenyl)carbazol-3-yl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazole
SMILESCc1ccccc1-n1c2ccccc2c2cc(-c3ccc4[nH]c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6C(F)(F)F)cc5c4c3)ccc21
InChIInChI=1S/C50H32F3N3/c1-30-10-2-6-14-44(30)55-45-15-7-3-11-35(45)39-28-33(20-24-47(39)55)31-18-22-42-37(26-31)38-27-32(19-23-43(38)54-42)34-21-25-48-40(29-34)36-12-4-8-16-46(36)56(48)49-17-9-5-13-41(49)50(51,52)53/h2-29,54H,1H3
InChIKeyOAXBFXWCBAPLAI-UHFFFAOYSA-N
XLogP14.18
TPSA25.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.82
LogP ≤ 514.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[9-(2-methylphenyl)carbazol-3-yl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazole?
The IUPAC name of 3-[9-(2-methylphenyl)carbazol-3-yl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazole (CID 59306869) is 3-[9-(2-methylphenyl)carbazol-3-yl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazole.
What is the SMILES notation for 3-[9-(2-methylphenyl)carbazol-3-yl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazole?
The canonical SMILES for 3-[9-(2-methylphenyl)carbazol-3-yl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazole is Cc1ccccc1-n1c2ccccc2c2cc(-c3ccc4[nH]c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6C(F)(F)F)cc5c4c3)ccc21.
What is the InChIKey of 3-[9-(2-methylphenyl)carbazol-3-yl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazole?
The InChIKey is OAXBFXWCBAPLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32F3N3/c1-30-10-2-6-14-44(30)55-45-15-7-3-11-35(45)39-28-33(20-24-47(39)55)31-18-22-42-37(26-31)38-27-32(19-23-43(38)54-42)34-21-25-48-40(29-34)36-12-4-8-16-46(36)56(48)49-17-9-5-13-41(49)50(51,52)53/h2-29,54H,1H3.
What are the key properties of 3-[9-(2-methylphenyl)carbazol-3-yl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazole?
3-[9-(2-methylphenyl)carbazol-3-yl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazole has a molecular weight of 731.82 g/mol, XLogP of 14.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2-methylphenyl)carbazol-3-yl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazole is sourced from PubChem (CID 59306869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).