32-[9-(4-tert-butylphenyl)carbazol-2-yl]-10-[4-(4-fluorophenyl)phenyl]-19-thia-10,32-diazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5,7,9(17),11,13,15,21(33),22(31),23,25,27,29,34-hexadecaene

C66H44FN3S — CID 118473607

About 32-[9-(4-tert-butylphenyl)carbazol-2-yl]-10-[4-(4-fluorophenyl)phenyl]-19-thia-10,32-diazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5,7,9(17),11,13,15,21(33),22(31),23,25,27,29,34-hexadecaene

32-[9-(4-tert-butylphenyl)carbazol-2-yl]-10-[4-(4-fluorophenyl)phenyl]-19-thia-10,32-diazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5,7,9(17),11,13,15,21(33),22(31),23,25,27,29,34-hexadecaene (PubChem CID 118473607) has the molecular formula C66H44FN3S and a molecular weight of 930.16 g/mol. Its IUPAC name is 32-[9-(4-tert-butylphenyl)carbazol-2-yl]-10-[4-(4-fluorophenyl)phenyl]-19-thia-10,32-diazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5,7,9(17),11,13,15,21(33),22(31),23,25,27,29,34-hexadecaene.

Molecular Properties

• Compound Name: 32-[9-(4-tert-butylphenyl)carbazol-2-yl]-10-[4-(4-fluorophenyl)phenyl]-19-thia-10,32-diazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5,7,9(17),11,13,15,21(33),22(31),23,25,27,29,34-hexadecaene
• PubChem CID: 118473607
• Molecular Formula: C66H44FN3S
• Molecular Weight: 930.16 g/mol
• Exact Mass: 929.32
• IUPAC Name: 32-[9-(4-tert-butylphenyl)carbazol-2-yl]-10-[4-(4-fluorophenyl)phenyl]-19-thia-10,32-diazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5,7,9(17),11,13,15,21(33),22(31),23,25,27,29,34-hexadecaene
• SMILES: CC(C)(C)c1ccc(-n2c3ccccc3c3ccc(-n4c5ccc6ccccc6c5c5c6sc7c(c8ccccc8c8c7c7ccccc7n8-c7ccc(-c8ccc(F)cc8)cc7)c6ccc54)cc32)cc1
• InChI: InChI=1S/C66H44FN3S/c1-66(2,3)42-25-31-44(32-26-42)68-54-18-10-8-14-48(54)49-34-33-46(38-58(49)68)69-56-36-24-41-12-4-5-13-47(41)60(56)62-57(69)37-35-53-59-50-15-6-7-16-51(50)63-61(65(59)71-64(53)62)52-17-9-11-19-55(52)70(63)45-29-22-40(23-30-45)39-20-27-43(67)28-21-39/h4-38H,1-3H3
• InChIKey: WCSNKBXOMIDEIM-UHFFFAOYSA-N
• XLogP: 18.76
• TPSA: 14.79 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	930.16
LogP ≤ 5	18.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 32-[9-(4-tert-butylphenyl)carbazol-2-yl]-10-[4-(4-fluorophenyl)phenyl]-19-thia-10,32-diazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5,7,9(17),11,13,15,21(33),22(31),23,25,27,29,34-hexadecaene?

The IUPAC name of 32-[9-(4-tert-butylphenyl)carbazol-2-yl]-10-[4-(4-fluorophenyl)phenyl]-19-thia-10,32-diazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5,7,9(17),11,13,15,21(33),22(31),23,25,27,29,34-hexadecaene (CID 118473607) is 32-[9-(4-tert-butylphenyl)carbazol-2-yl]-10-[4-(4-fluorophenyl)phenyl]-19-thia-10,32-diazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5,7,9(17),11,13,15,21(33),22(31),23,25,27,29,34-hexadecaene.

What is the SMILES notation for 32-[9-(4-tert-butylphenyl)carbazol-2-yl]-10-[4-(4-fluorophenyl)phenyl]-19-thia-10,32-diazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5,7,9(17),11,13,15,21(33),22(31),23,25,27,29,34-hexadecaene?

The canonical SMILES for 32-[9-(4-tert-butylphenyl)carbazol-2-yl]-10-[4-(4-fluorophenyl)phenyl]-19-thia-10,32-diazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5,7,9(17),11,13,15,21(33),22(31),23,25,27,29,34-hexadecaene is CC(C)(C)c1ccc(-n2c3ccccc3c3ccc(-n4c5ccc6ccccc6c5c5c6sc7c(c8ccccc8c8c7c7ccccc7n8-c7ccc(-c8ccc(F)cc8)cc7)c6ccc54)cc32)cc1.

What is the InChIKey of 32-[9-(4-tert-butylphenyl)carbazol-2-yl]-10-[4-(4-fluorophenyl)phenyl]-19-thia-10,32-diazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5,7,9(17),11,13,15,21(33),22(31),23,25,27,29,34-hexadecaene?

The InChIKey is WCSNKBXOMIDEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44FN3S/c1-66(2,3)42-25-31-44(32-26-42)68-54-18-10-8-14-48(54)49-34-33-46(38-58(49)68)69-56-36-24-41-12-4-5-13-47(41)60(56)62-57(69)37-35-53-59-50-15-6-7-16-51(50)63-61(65(59)71-64(53)62)52-17-9-11-19-55(52)70(63)45-29-22-40(23-30-45)39-20-27-43(67)28-21-39/h4-38H,1-3H3.

What are the key properties of 32-[9-(4-tert-butylphenyl)carbazol-2-yl]-10-[4-(4-fluorophenyl)phenyl]-19-thia-10,32-diazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5,7,9(17),11,13,15,21(33),22(31),23,25,27,29,34-hexadecaene?

32-[9-(4-tert-butylphenyl)carbazol-2-yl]-10-[4-(4-fluorophenyl)phenyl]-19-thia-10,32-diazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5,7,9(17),11,13,15,21(33),22(31),23,25,27,29,34-hexadecaene has a molecular weight of 930.16 g/mol, XLogP of 18.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 32-[9-(4-tert-butylphenyl)carbazol-2-yl]-10-[4-(4-fluorophenyl)phenyl]-19-thia-10,32-diazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5,7,9(17),11,13,15,21(33),22(31),23,25,27,29,34-hexadecaene is sourced from PubChem (CID 118473607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).