6,6,13,13,23,23,30,30-octafluoro-18-(9-phenylcarbazol-4-yl)-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16,18,20(35),21,24,26,28,31,33-pentadecaene

C50H24F8N4 — CID 167116336

IUPAC6,6,13,13,23,23,30,30-octafluoro-18-(9-phenylcarbazol-4-yl)-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16,18,20(35),21,24,26,28,31,33-pentadecaene
SMILESFC1(F)c2ccccc2C(F)(F)c2c1ncc1c2c2cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc3c4c5c(ncc4n1c23)C(F)(F)c1ccccc1C5(F)F
InChIInChI=1S/C50H24F8N4/c51-47(52)31-15-5-7-17-33(31)49(55,56)45-42(47)40-29-21-25(27-14-10-20-36-39(27)28-13-4-9-19-35(28)61(36)26-11-2-1-3-12-26)22-30-41-38(62(44(29)30)37(40)23-59-45)24-60-46-43(41)48(53,54)32-16-6-8-18-34(32)50(46,57)58/h1-24H
InChIKeyWVPDGHDWWUIJAP-UHFFFAOYSA-N
MW832.75 g/mol
LogP13.58
Rot. Bonds2

About 6,6,13,13,23,23,30,30-octafluoro-18-(9-phenylcarbazol-4-yl)-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16,18,20(35),21,24,26,28,31,33-pentadecaene

6,6,13,13,23,23,30,30-octafluoro-18-(9-phenylcarbazol-4-yl)-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16,18,20(35),21,24,26,28,31,33-pentadecaene (PubChem CID 167116336) has the molecular formula C50H24F8N4 and a molecular weight of 832.75 g/mol. Its IUPAC name is 6,6,13,13,23,23,30,30-octafluoro-18-(9-phenylcarbazol-4-yl)-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16,18,20(35),21,24,26,28,31,33-pentadecaene.

Molecular Properties

Compound Name6,6,13,13,23,23,30,30-octafluoro-18-(9-phenylcarbazol-4-yl)-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16,18,20(35),21,24,26,28,31,33-pentadecaene
PubChem CID167116336
Molecular FormulaC50H24F8N4
Molecular Weight832.75 g/mol
Exact Mass832.19
IUPAC Name6,6,13,13,23,23,30,30-octafluoro-18-(9-phenylcarbazol-4-yl)-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16,18,20(35),21,24,26,28,31,33-pentadecaene
SMILESFC1(F)c2ccccc2C(F)(F)c2c1ncc1c2c2cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc3c4c5c(ncc4n1c23)C(F)(F)c1ccccc1C5(F)F
InChIInChI=1S/C50H24F8N4/c51-47(52)31-15-5-7-17-33(31)49(55,56)45-42(47)40-29-21-25(27-14-10-20-36-39(27)28-13-4-9-19-35(28)61(36)26-11-2-1-3-12-26)22-30-41-38(62(44(29)30)37(40)23-59-45)24-60-46-43(41)48(53,54)32-16-6-8-18-34(32)50(46,57)58/h1-24H
InChIKeyWVPDGHDWWUIJAP-UHFFFAOYSA-N
XLogP13.58
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.75
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,6,13,13,23,23,30,30-octafluoro-18-(9-phenylcarbazol-4-yl)-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16,18,20(35),21,24,26,28,31,33-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,6,13,13,23,23,30,30-octafluoro-18-(9-phenylcarbazol-4-yl)-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16,18,20(35),21,24,26,28,31,33-pentadecaene?
The IUPAC name of 6,6,13,13,23,23,30,30-octafluoro-18-(9-phenylcarbazol-4-yl)-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16,18,20(35),21,24,26,28,31,33-pentadecaene (CID 167116336) is 6,6,13,13,23,23,30,30-octafluoro-18-(9-phenylcarbazol-4-yl)-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16,18,20(35),21,24,26,28,31,33-pentadecaene.
What is the SMILES notation for 6,6,13,13,23,23,30,30-octafluoro-18-(9-phenylcarbazol-4-yl)-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16,18,20(35),21,24,26,28,31,33-pentadecaene?
The canonical SMILES for 6,6,13,13,23,23,30,30-octafluoro-18-(9-phenylcarbazol-4-yl)-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16,18,20(35),21,24,26,28,31,33-pentadecaene is FC1(F)c2ccccc2C(F)(F)c2c1ncc1c2c2cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc3c4c5c(ncc4n1c23)C(F)(F)c1ccccc1C5(F)F.
What is the InChIKey of 6,6,13,13,23,23,30,30-octafluoro-18-(9-phenylcarbazol-4-yl)-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16,18,20(35),21,24,26,28,31,33-pentadecaene?
The InChIKey is WVPDGHDWWUIJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H24F8N4/c51-47(52)31-15-5-7-17-33(31)49(55,56)45-42(47)40-29-21-25(27-14-10-20-36-39(27)28-13-4-9-19-35(28)61(36)26-11-2-1-3-12-26)22-30-41-38(62(44(29)30)37(40)23-59-45)24-60-46-43(41)48(53,54)32-16-6-8-18-34(32)50(46,57)58/h1-24H.
What are the key properties of 6,6,13,13,23,23,30,30-octafluoro-18-(9-phenylcarbazol-4-yl)-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16,18,20(35),21,24,26,28,31,33-pentadecaene?
6,6,13,13,23,23,30,30-octafluoro-18-(9-phenylcarbazol-4-yl)-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16,18,20(35),21,24,26,28,31,33-pentadecaene has a molecular weight of 832.75 g/mol, XLogP of 13.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,13,13,23,23,30,30-octafluoro-18-(9-phenylcarbazol-4-yl)-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16,18,20(35),21,24,26,28,31,33-pentadecaene is sourced from PubChem (CID 167116336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).