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

C40H26F6N2O2 — CID 138750207

IUPAC2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole
SMILESCOc1ccc2c3ccccc3n(-c3ccc(C(F)(F)F)c(-c4cc(-n5c6ccccc6c6ccc(OC)cc65)ccc4C(F)(F)F)c3)c2c1
InChIInChI=1S/C40H26F6N2O2/c1-49-25-13-15-29-27-7-3-5-9-35(27)47(37(29)21-25)23-11-17-33(39(41,42)43)31(19-23)32-20-24(12-18-34(32)40(44,45)46)48-36-10-6-4-8-28(36)30-16-14-26(50-2)22-38(30)48/h3-22H,1-2H3
InChIKeyWQQBEISPNFAFGA-UHFFFAOYSA-N
MW680.65 g/mol
LogP11.60
Rot. Bonds5

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

2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole (PubChem CID 138750207) has the molecular formula C40H26F6N2O2 and a molecular weight of 680.65 g/mol. Its IUPAC name is 2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole
PubChem CID138750207
Molecular FormulaC40H26F6N2O2
Molecular Weight680.65 g/mol
Exact Mass680.19
IUPAC Name2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole
SMILESCOc1ccc2c3ccccc3n(-c3ccc(C(F)(F)F)c(-c4cc(-n5c6ccccc6c6ccc(OC)cc65)ccc4C(F)(F)F)c3)c2c1
InChIInChI=1S/C40H26F6N2O2/c1-49-25-13-15-29-27-7-3-5-9-35(27)47(37(29)21-25)23-11-17-33(39(41,42)43)31(19-23)32-20-24(12-18-34(32)40(44,45)46)48-36-10-6-4-8-28(36)30-16-14-26(50-2)22-38(30)48/h3-22H,1-2H3
InChIKeyWQQBEISPNFAFGA-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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Related Compounds

9-[3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-phenylcarbazole
CID 161037605
2,7-di(carbazol-9-yl)-9-[5-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole
CID 138736236
2-[2-cyano-5-(3-methoxycarbazol-9-yl)phenyl]-4-(3-methoxycarbazol-9-yl)benzonitrile
CID 138749753
9-[4-(4-carbazol-9-ylphenyl)-3-(trifluoromethyl)phenyl]carbazole
CID 174910528
3-methoxy-9-(trifluoromethyl)carbazole
CID 153297232
9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910
2-[2-cyano-4-(3-methoxycarbazol-9-yl)phenyl]-5-(3-methoxycarbazol-9-yl)benzonitrile
CID 138735973
3,6-dimethoxy-9-[4-[4-(3-methoxycarbazol-9-yl)phenyl]sulfanylphenyl]carbazole
CID 144918544
3,6-di(carbazol-9-yl)-9-[3-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole
CID 162573721
9-[4-methyl-3-[5-(3-methylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 158311741
5,11-di(triphenylen-2-yl)indolo[3,2-b]carbazole
CID 166009559
9-[4-[[4-(2,7-dimethoxycarbazol-9-yl)phenyl]disulfanyl]phenyl]-2,7-dimethoxycarbazole
CID 177244536

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole (CID 138750207) is 2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole is COc1ccc2c3ccccc3n(-c3ccc(C(F)(F)F)c(-c4cc(-n5c6ccccc6c6ccc(OC)cc65)ccc4C(F)(F)F)c3)c2c1.
What is the InChIKey of 2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole?
The InChIKey is WQQBEISPNFAFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26F6N2O2/c1-49-25-13-15-29-27-7-3-5-9-35(27)47(37(29)21-25)23-11-17-33(39(41,42)43)31(19-23)32-20-24(12-18-34(32)40(44,45)46)48-36-10-6-4-8-28(36)30-16-14-26(50-2)22-38(30)48/h3-22H,1-2H3.
What are the key properties of 2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole?
2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-(trifluoromethyl)phenyl]-4-(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-[3-[5-(2-methoxycarbazol-9-yl)-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 138750207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).