25,26,27,28-tetrafluoro-6,7,16,17-tetraphenoxy-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene

C44H20F4N10O4 — CID 58084885

About 25,26,27,28-tetrafluoro-6,7,16,17-tetraphenoxy-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene

25,26,27,28-tetrafluoro-6,7,16,17-tetraphenoxy-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene (PubChem CID 58084885) has the molecular formula C44H20F4N10O4 and a molecular weight of 828.70 g/mol. Its IUPAC name is 25,26,27,28-tetrafluoro-6,7,16,17-tetraphenoxy-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene.

Molecular Properties

• Compound Name: 25,26,27,28-tetrafluoro-6,7,16,17-tetraphenoxy-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene
• PubChem CID: 58084885
• Molecular Formula: C44H20F4N10O4
• Molecular Weight: 828.70 g/mol
• Exact Mass: 828.16
• IUPAC Name: 25,26,27,28-tetrafluoro-6,7,16,17-tetraphenoxy-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene
• SMILES: Fc1c(F)c(F)c2nc3c4nc5nc(Oc6ccccc6)c(Oc6ccccc6)nc5nc4c4nc5nc(Oc6ccccc6)c(Oc6ccccc6)nc5nc4c3nc2c1F
• InChI: InChI=1S/C44H20F4N10O4/c45-25-26(46)28(48)30-29(27(25)47)49-31-32(50-30)34-36(54-40-38(52-34)56-42(60-22-15-7-2-8-16-22)44(58-40)62-24-19-11-4-12-20-24)35-33(31)51-37-39(53-35)57-43(61-23-17-9-3-10-18-23)41(55-37)59-21-13-5-1-6-14-21/h1-20H
• InChIKey: ZHEPKSVOBLDZET-UHFFFAOYSA-N
• XLogP: 10.28
• TPSA: 165.82 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	828.70
LogP ≤ 5	10.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 25,26,27,28-tetrafluoro-6,7,16,17-tetraphenoxy-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene?

The IUPAC name of 25,26,27,28-tetrafluoro-6,7,16,17-tetraphenoxy-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene (CID 58084885) is 25,26,27,28-tetrafluoro-6,7,16,17-tetraphenoxy-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene.

What is the SMILES notation for 25,26,27,28-tetrafluoro-6,7,16,17-tetraphenoxy-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene?

The canonical SMILES for 25,26,27,28-tetrafluoro-6,7,16,17-tetraphenoxy-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene is Fc1c(F)c(F)c2nc3c4nc5nc(Oc6ccccc6)c(Oc6ccccc6)nc5nc4c4nc5nc(Oc6ccccc6)c(Oc6ccccc6)nc5nc4c3nc2c1F.

What is the InChIKey of 25,26,27,28-tetrafluoro-6,7,16,17-tetraphenoxy-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene?

The InChIKey is ZHEPKSVOBLDZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H20F4N10O4/c45-25-26(46)28(48)30-29(27(25)47)49-31-32(50-30)34-36(54-40-38(52-34)56-42(60-22-15-7-2-8-16-22)44(58-40)62-24-19-11-4-12-20-24)35-33(31)51-37-39(53-35)57-43(61-23-17-9-3-10-18-23)41(55-37)59-21-13-5-1-6-14-21/h1-20H.

What are the key properties of 25,26,27,28-tetrafluoro-6,7,16,17-tetraphenoxy-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene?

25,26,27,28-tetrafluoro-6,7,16,17-tetraphenoxy-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene has a molecular weight of 828.70 g/mol, XLogP of 10.28, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 25,26,27,28-tetrafluoro-6,7,16,17-tetraphenoxy-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene is sourced from PubChem (CID 58084885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).