9-[3-carbazol-9-yl-5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene

C81H49N9 — CID 156577829

IUPAC9-[3-carbazol-9-yl-5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
SMILESc1ccc(-n2c3ccccc3c3c2c2c4ccccc4n(-c4cc(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)cc(-n5c6ccccc6c6ccccc65)c4)c2c2c4ccccc4n(-c4ccccc4)c32)cc1
InChIInChI=1S/C81H49N9/c1-3-25-51(26-4-1)86-70-44-22-13-35-61(70)73-76-74(62-36-14-23-45-71(62)87(76)52-27-5-2-6-28-52)78-75(77(73)86)63-37-15-24-46-72(63)88(78)54-48-50(47-53(49-54)85-64-38-16-7-29-55(64)56-30-8-17-39-65(56)85)79-82-80(89-66-40-18-9-31-57(66)58-32-10-19-41-67(58)89)84-81(83-79)90-68-42-20-11-33-59(68)60-34-12-21-43-69(60)90/h1-49H
InChIKeyLDFXVHDZNDFHBW-UHFFFAOYSA-N
MW1148.35 g/mol
LogP20.12
Rot. Bonds7

About 9-[3-carbazol-9-yl-5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene

9-[3-carbazol-9-yl-5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene (PubChem CID 156577829) has the molecular formula C81H49N9 and a molecular weight of 1148.35 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
PubChem CID156577829
Molecular FormulaC81H49N9
Molecular Weight1148.35 g/mol
Exact Mass1147.41
IUPAC Name9-[3-carbazol-9-yl-5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
SMILESc1ccc(-n2c3ccccc3c3c2c2c4ccccc4n(-c4cc(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)cc(-n5c6ccccc6c6ccccc65)c4)c2c2c4ccccc4n(-c4ccccc4)c32)cc1
InChIInChI=1S/C81H49N9/c1-3-25-51(26-4-1)86-70-44-22-13-35-61(70)73-76-74(62-36-14-23-45-71(62)87(76)52-27-5-2-6-28-52)78-75(77(73)86)63-37-15-24-46-72(63)88(78)54-48-50(47-53(49-54)85-64-38-16-7-29-55(64)56-30-8-17-39-65(56)85)79-82-80(89-66-40-18-9-31-57(66)58-32-10-19-41-67(58)89)84-81(83-79)90-68-42-20-11-33-59(68)60-34-12-21-43-69(60)90/h1-49H
InChIKeyLDFXVHDZNDFHBW-UHFFFAOYSA-N
XLogP20.12
TPSA68.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001148.35
LogP ≤ 520.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-[3-carbazol-9-yl-5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene with MolForge

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Related Compounds

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 58142333
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,21-diphenyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 58142309
9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 156577587
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169014428
5-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 169014315
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,18,27-triphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,21,23,25-dodecaene
CID 163546560
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole;11-phenyl-12-[3-[4-phenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole;5-phenyl-11-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 163926975
5-(3-carbazol-9-ylphenyl)-12-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 88917477
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227760
9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 159896953
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole
CID 88917516
7-phenyl-5-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 164990213

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?
The IUPAC name of 9-[3-carbazol-9-yl-5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene (CID 156577829) is 9-[3-carbazol-9-yl-5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?
The canonical SMILES for 9-[3-carbazol-9-yl-5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene is c1ccc(-n2c3ccccc3c3c2c2c4ccccc4n(-c4cc(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)cc(-n5c6ccccc6c6ccccc65)c4)c2c2c4ccccc4n(-c4ccccc4)c32)cc1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?
The InChIKey is LDFXVHDZNDFHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H49N9/c1-3-25-51(26-4-1)86-70-44-22-13-35-61(70)73-76-74(62-36-14-23-45-71(62)87(76)52-27-5-2-6-28-52)78-75(77(73)86)63-37-15-24-46-72(63)88(78)54-48-50(47-53(49-54)85-64-38-16-7-29-55(64)56-30-8-17-39-65(56)85)79-82-80(89-66-40-18-9-31-57(66)58-32-10-19-41-67(58)89)84-81(83-79)90-68-42-20-11-33-59(68)60-34-12-21-43-69(60)90/h1-49H.
What are the key properties of 9-[3-carbazol-9-yl-5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?
9-[3-carbazol-9-yl-5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene has a molecular weight of 1148.35 g/mol, XLogP of 20.12, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene is sourced from PubChem (CID 156577829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).