9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine

C88H55F21N6O8 — CID 134220675

About 9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine

9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine (PubChem CID 134220675) has the molecular formula C88H55F21N6O8 and a molecular weight of 1723.40 g/mol. Its IUPAC name is 9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine.

Molecular Properties

• Compound Name: 9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
• PubChem CID: 134220675
• Molecular Formula: C88H55F21N6O8
• Molecular Weight: 1723.40 g/mol
• Exact Mass: 1722.37
• IUPAC Name: 9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
• SMILES: COc1ccc(N(c2ccc(OC(F)(F)F)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)ccc2n3Cc2cccc(Cn3c4ccc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)c2)cc1
• InChI: InChI=1S/C88H55F21N6O8/c1-116-66-25-5-54(6-26-66)112(55-7-27-67(28-8-55)117-82(89,90)91)62-21-41-78-74(46-62)75-47-63(113(56-9-29-68(30-10-56)118-83(92,93)94)57-11-31-69(32-12-57)119-84(95,96)97)22-42-79(75)110(78)50-52-3-2-4-53(45-52)51-111-80-43-23-64(114(58-13-33-70(34-14-58)120-85(98,99)100)59-15-35-71(36-16-59)121-86(101,102)103)48-76(80)77-49-65(24-44-81(77)111)115(60-17-37-72(38-18-60)122-87(104,105)106)61-19-39-73(40-20-61)123-88(107,108)109/h2-49H,50-51H2,1H3
• InChIKey: VQIASGYFZMFQEF-UHFFFAOYSA-N
• XLogP: 28.18
• TPSA: 96.66 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1723.40
LogP ≤ 5	28.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine?

The IUPAC name of 9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine (CID 134220675) is 9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine.

What is the SMILES notation for 9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine?

The canonical SMILES for 9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine is COc1ccc(N(c2ccc(OC(F)(F)F)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)ccc2n3Cc2cccc(Cn3c4ccc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)c2)cc1.

What is the InChIKey of 9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine?

The InChIKey is VQIASGYFZMFQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H55F21N6O8/c1-116-66-25-5-54(6-26-66)112(55-7-27-67(28-8-55)117-82(89,90)91)62-21-41-78-74(46-62)75-47-63(113(56-9-29-68(30-10-56)118-83(92,93)94)57-11-31-69(32-12-57)119-84(95,96)97)22-42-79(75)110(78)50-52-3-2-4-53(45-52)51-111-80-43-23-64(114(58-13-33-70(34-14-58)120-85(98,99)100)59-15-35-71(36-16-59)121-86(101,102)103)48-76(80)77-49-65(24-44-81(77)111)115(60-17-37-72(38-18-60)122-87(104,105)106)61-19-39-73(40-20-61)123-88(107,108)109/h2-49H,50-51H2,1H3.

What are the key properties of 9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine?

9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine has a molecular weight of 1723.40 g/mol, XLogP of 28.18, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine is sourced from PubChem (CID 134220675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).