9-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene

C64H38F3N7 — CID 170444550

About 9-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene

9-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene (PubChem CID 170444550) has the molecular formula C64H38F3N7 and a molecular weight of 962.05 g/mol. Its IUPAC name is 9-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene.

Molecular Properties

• Compound Name: 9-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
• PubChem CID: 170444550
• Molecular Formula: C64H38F3N7
• Molecular Weight: 962.05 g/mol
• Exact Mass: 961.31
• IUPAC Name: 9-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
• SMILES: FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccccc43)n2)ccc1-n1c2ccccc2c2c3c(c4ccccc4n3-c3ccccc3)c3c(c4ccccc4n3-c3ccccc3)c21
• InChI: InChI=1S/C64H38F3N7/c65-64(66,67)48-38-40(62-68-61(39-20-4-1-5-21-39)69-63(70-62)74-49-31-15-10-26-43(49)44-27-11-16-32-50(44)74)36-37-54(48)73-53-35-19-14-30-47(53)57-59-55(45-28-12-17-33-51(45)71(59)41-22-6-2-7-23-41)58-56(60(57)73)46-29-13-18-34-52(46)72(58)42-24-8-3-9-25-42/h1-38H
• InChIKey: YMVYYJNNFYGLNE-UHFFFAOYSA-N
• XLogP: 16.61
• TPSA: 58.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	962.05
LogP ≤ 5	16.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?

The IUPAC name of 9-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene (CID 170444550) is 9-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene.

What is the SMILES notation for 9-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?

The canonical SMILES for 9-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene is FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccccc43)n2)ccc1-n1c2ccccc2c2c3c(c4ccccc4n3-c3ccccc3)c3c(c4ccccc4n3-c3ccccc3)c21.

What is the InChIKey of 9-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?

The InChIKey is YMVYYJNNFYGLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38F3N7/c65-64(66,67)48-38-40(62-68-61(39-20-4-1-5-21-39)69-63(70-62)74-49-31-15-10-26-43(49)44-27-11-16-32-50(44)74)36-37-54(48)73-53-35-19-14-30-47(53)57-59-55(45-28-12-17-33-51(45)71(59)41-22-6-2-7-23-41)58-56(60(57)73)46-29-13-18-34-52(46)72(58)42-24-8-3-9-25-42/h1-38H.

What are the key properties of 9-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?

9-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene has a molecular weight of 962.05 g/mol, XLogP of 16.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene is sourced from PubChem (CID 170444550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).