11,19-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene

C81H50N8O2 — CID 130231160

IUPAC11,19-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
SMILESCC1(C)c2cc3c(cc2-c2cc4c5ccccc5n(-c5ccc6oc7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6c5)c4cc21)c1ccccc1n3-c1ccc2oc3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2c1
InChIInChI=1S/C81H50N8O2/c1-81(2)63-45-67-59(53-29-15-17-33-65(53)88(67)51-37-39-69-61(41-51)73-55(31-19-35-71(73)90-69)79-84-75(47-21-7-3-8-22-47)82-76(85-79)48-23-9-4-10-24-48)43-57(63)58-44-60-54-30-16-18-34-66(54)89(68(60)46-64(58)81)52-38-40-70-62(42-52)74-56(32-20-36-72(74)91-70)80-86-77(49-25-11-5-12-26-49)83-78(87-80)50-27-13-6-14-28-50/h3-46H,1-2H3
InChIKeyFNCQBLILVHITMR-UHFFFAOYSA-N
MW1167.34 g/mol
LogP20.36
Rot. Bonds8

About 11,19-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene

11,19-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene (PubChem CID 130231160) has the molecular formula C81H50N8O2 and a molecular weight of 1167.34 g/mol. Its IUPAC name is 11,19-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene.

Molecular Properties

Compound Name11,19-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
PubChem CID130231160
Molecular FormulaC81H50N8O2
Molecular Weight1167.34 g/mol
Exact Mass1166.41
IUPAC Name11,19-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
SMILESCC1(C)c2cc3c(cc2-c2cc4c5ccccc5n(-c5ccc6oc7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6c5)c4cc21)c1ccccc1n3-c1ccc2oc3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2c1
InChIInChI=1S/C81H50N8O2/c1-81(2)63-45-67-59(53-29-15-17-33-65(53)88(67)51-37-39-69-61(41-51)73-55(31-19-35-71(73)90-69)79-84-75(47-21-7-3-8-22-47)82-76(85-79)48-23-9-4-10-24-48)43-57(63)58-44-60-54-30-16-18-34-66(54)89(68(60)46-64(58)81)52-38-40-70-62(42-52)74-56(32-20-36-72(74)91-70)80-86-77(49-25-11-5-12-26-49)83-78(87-80)50-27-13-6-14-28-50/h3-46H,1-2H3
InChIKeyFNCQBLILVHITMR-UHFFFAOYSA-N
XLogP20.36
TPSA113.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001167.34
LogP ≤ 520.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 11,19-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene with MolForge

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Related Compounds

5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;ethane
CID 145017062
5-[19-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146258962
5-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 145017206
11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole
CID 146338085
9-[9-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]carbazole
CID 165166763
9-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 166953309
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole
CID 154602337
7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134498087
9-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-2-phenylcarbazole
CID 146337857
5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 130327260
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66804832
18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-10,10-dimethyl-14-phenyl-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
CID 118507950

Frequently Asked Questions

What is the IUPAC name of 11,19-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
The IUPAC name of 11,19-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene (CID 130231160) is 11,19-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene.
What is the SMILES notation for 11,19-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
The canonical SMILES for 11,19-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene is CC1(C)c2cc3c(cc2-c2cc4c5ccccc5n(-c5ccc6oc7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6c5)c4cc21)c1ccccc1n3-c1ccc2oc3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2c1.
What is the InChIKey of 11,19-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
The InChIKey is FNCQBLILVHITMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H50N8O2/c1-81(2)63-45-67-59(53-29-15-17-33-65(53)88(67)51-37-39-69-61(41-51)73-55(31-19-35-71(73)90-69)79-84-75(47-21-7-3-8-22-47)82-76(85-79)48-23-9-4-10-24-48)43-57(63)58-44-60-54-30-16-18-34-66(54)89(68(60)46-64(58)81)52-38-40-70-62(42-52)74-56(32-20-36-72(74)91-70)80-86-77(49-25-11-5-12-26-49)83-78(87-80)50-27-13-6-14-28-50/h3-46H,1-2H3.
What are the key properties of 11,19-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
11,19-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene has a molecular weight of 1167.34 g/mol, XLogP of 20.36, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 11,19-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene is sourced from PubChem (CID 130231160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).