11-(3-dibenzofuran-1-ylphenyl)-16-phenyl-11,16-diazanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene

C52H28N2O — CID 163553572

IUPAC11-(3-dibenzofuran-1-ylphenyl)-16-phenyl-11,16-diazanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene
SMILESc1ccc(-n2c3cc4cccc5c4c4c6c-5cccc6c5cccc6c5c5c(c43)c2ccc5n6-c2cccc(-c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C52H28N2O/c1-2-13-31(14-3-1)53-41-26-25-40-49-48-37(36-20-8-19-35-34-18-7-12-30-28-42(53)51(50(41)49)52(45(30)34)47(35)36)21-9-22-39(48)54(40)32-15-6-11-29(27-32)33-17-10-24-44-46(33)38-16-4-5-23-43(38)55-44/h1-28H/b37-36-
InChIKeyXWDDBGHERIOWPF-KRYSQPQISA-N
MW696.81 g/mol
LogP14.32
Rot. Bonds3

About 11-(3-dibenzofuran-1-ylphenyl)-16-phenyl-11,16-diazanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene

11-(3-dibenzofuran-1-ylphenyl)-16-phenyl-11,16-diazanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene (PubChem CID 163553572) has the molecular formula C52H28N2O and a molecular weight of 696.81 g/mol. Its IUPAC name is 11-(3-dibenzofuran-1-ylphenyl)-16-phenyl-11,16-diazanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene.

Molecular Properties

Compound Name11-(3-dibenzofuran-1-ylphenyl)-16-phenyl-11,16-diazanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene
PubChem CID163553572
Molecular FormulaC52H28N2O
Molecular Weight696.81 g/mol
Exact Mass696.22
IUPAC Name11-(3-dibenzofuran-1-ylphenyl)-16-phenyl-11,16-diazanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene
SMILESc1ccc(-n2c3cc4cccc5c4c4c6c-5cccc6c5cccc6c5c5c(c43)c2ccc5n6-c2cccc(-c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C52H28N2O/c1-2-13-31(14-3-1)53-41-26-25-40-49-48-37(36-20-8-19-35-34-18-7-12-30-28-42(53)51(50(41)49)52(45(30)34)47(35)36)21-9-22-39(48)54(40)32-15-6-11-29(27-32)33-17-10-24-44-46(33)38-16-4-5-23-43(38)55-44/h1-28H/b37-36-
InChIKeyXWDDBGHERIOWPF-KRYSQPQISA-N
XLogP14.32
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.81
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-(3-dibenzofuran-1-ylphenyl)-16-phenyl-11,16-diazanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene with MolForge

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Related Compounds

23-(3-dibenzofuran-1-ylphenyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(3-dibenzothiophen-1-ylphenyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 160876282
9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene
CID 164845453
9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166592032
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166592067
19-phenyl-4-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaene
CID 171620053
27-(3-dibenzofuran-1-ylphenyl)-27-azaheptacyclo[12.11.1.13,25.02,7.08,13.018,26.019,24]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18(26),19,21,23-tridecaene;23-(3-dibenzofuran-1-ylphenyl)-6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;26-(3-phenylphenyl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 159753783
15-(3-dibenzofuran-1-ylphenyl)-20-phenyl-10-thia-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-phenyl-10-thia-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20-phenyl-15-[3-(3-phenylphenyl)phenyl]-10-thia-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
CID 163504186
4-dibenzofuran-3-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122599853
9-phenyl-14-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134515861
9-(3-dibenzofuran-1-ylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118149426
9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene;9-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene
CID 167532846
23-dibenzofuran-3-yl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(3-dibenzofuran-1-ylphenyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-(4-dibenzothiophen-4-ylphenyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 158412327

Frequently Asked Questions

What is the IUPAC name of 11-(3-dibenzofuran-1-ylphenyl)-16-phenyl-11,16-diazanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene?
The IUPAC name of 11-(3-dibenzofuran-1-ylphenyl)-16-phenyl-11,16-diazanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene (CID 163553572) is 11-(3-dibenzofuran-1-ylphenyl)-16-phenyl-11,16-diazanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene.
What is the SMILES notation for 11-(3-dibenzofuran-1-ylphenyl)-16-phenyl-11,16-diazanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene?
The canonical SMILES for 11-(3-dibenzofuran-1-ylphenyl)-16-phenyl-11,16-diazanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene is c1ccc(-n2c3cc4cccc5c4c4c6c-5cccc6c5cccc6c5c5c(c43)c2ccc5n6-c2cccc(-c3cccc4oc5ccccc5c34)c2)cc1.
What is the InChIKey of 11-(3-dibenzofuran-1-ylphenyl)-16-phenyl-11,16-diazanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene?
The InChIKey is XWDDBGHERIOWPF-KRYSQPQISA-N. The full InChI is InChI=1S/C52H28N2O/c1-2-13-31(14-3-1)53-41-26-25-40-49-48-37(36-20-8-19-35-34-18-7-12-30-28-42(53)51(50(41)49)52(45(30)34)47(35)36)21-9-22-39(48)54(40)32-15-6-11-29(27-32)33-17-10-24-44-46(33)38-16-4-5-23-43(38)55-44/h1-28H/b37-36-.
What are the key properties of 11-(3-dibenzofuran-1-ylphenyl)-16-phenyl-11,16-diazanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene?
11-(3-dibenzofuran-1-ylphenyl)-16-phenyl-11,16-diazanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene has a molecular weight of 696.81 g/mol, XLogP of 14.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-dibenzofuran-1-ylphenyl)-16-phenyl-11,16-diazanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene is sourced from PubChem (CID 163553572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).