2-methoxy-9-[5-[3-(2-methoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole

C40H26F6N2O2 — CID 138736102

IUPAC2-methoxy-9-[5-[3-(2-methoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole
SMILESCOc1ccc2c3ccccc3n(-c3cc(-c4ccc(C(F)(F)F)c(-n5c6ccccc6c6ccc(OC)cc65)c4)ccc3C(F)(F)F)c2c1
InChIInChI=1S/C40H26F6N2O2/c1-49-25-13-15-29-27-7-3-5-9-33(27)47(35(29)21-25)37-19-23(11-17-31(37)39(41,42)43)24-12-18-32(40(44,45)46)38(20-24)48-34-10-6-4-8-28(34)30-16-14-26(50-2)22-36(30)48/h3-22H,1-2H3
InChIKeyAUTKXXWKBASRMW-UHFFFAOYSA-N
MW680.65 g/mol
LogP11.60
Rot. Bonds5

About 2-methoxy-9-[5-[3-(2-methoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole

2-methoxy-9-[5-[3-(2-methoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole (PubChem CID 138736102) has the molecular formula C40H26F6N2O2 and a molecular weight of 680.65 g/mol. Its IUPAC name is 2-methoxy-9-[5-[3-(2-methoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name2-methoxy-9-[5-[3-(2-methoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole
PubChem CID138736102
Molecular FormulaC40H26F6N2O2
Molecular Weight680.65 g/mol
Exact Mass680.19
IUPAC Name2-methoxy-9-[5-[3-(2-methoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole
SMILESCOc1ccc2c3ccccc3n(-c3cc(-c4ccc(C(F)(F)F)c(-n5c6ccccc6c6ccc(OC)cc65)c4)ccc3C(F)(F)F)c2c1
InChIInChI=1S/C40H26F6N2O2/c1-49-25-13-15-29-27-7-3-5-9-33(27)47(35(29)21-25)37-19-23(11-17-31(37)39(41,42)43)24-12-18-32(40(44,45)46)38(20-24)48-34-10-6-4-8-28(34)30-16-14-26(50-2)22-36(30)48/h3-22H,1-2H3
InChIKeyAUTKXXWKBASRMW-UHFFFAOYSA-N
XLogP11.60
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.65
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-9-[5-[3-(2-methoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 2-methoxy-9-[5-[3-(2-methoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole (CID 138736102) is 2-methoxy-9-[5-[3-(2-methoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 2-methoxy-9-[5-[3-(2-methoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 2-methoxy-9-[5-[3-(2-methoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole is COc1ccc2c3ccccc3n(-c3cc(-c4ccc(C(F)(F)F)c(-n5c6ccccc6c6ccc(OC)cc65)c4)ccc3C(F)(F)F)c2c1.
What is the InChIKey of 2-methoxy-9-[5-[3-(2-methoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole?
The InChIKey is AUTKXXWKBASRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26F6N2O2/c1-49-25-13-15-29-27-7-3-5-9-33(27)47(35(29)21-25)37-19-23(11-17-31(37)39(41,42)43)24-12-18-32(40(44,45)46)38(20-24)48-34-10-6-4-8-28(34)30-16-14-26(50-2)22-36(30)48/h3-22H,1-2H3.
What are the key properties of 2-methoxy-9-[5-[3-(2-methoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole?
2-methoxy-9-[5-[3-(2-methoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole has a molecular weight of 680.65 g/mol, XLogP of 11.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-9-[5-[3-(2-methoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 138736102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).