12-(4,6-diphenylpyrimidin-2-yl)-6-[4-[4-phenyl-6-(5,11,11-triphenylindeno[1,2-b]carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole

C86H53N7O — CID 123737473

IUPAC12-(4,6-diphenylpyrimidin-2-yl)-6-[4-[4-phenyl-6-(5,11,11-triphenylindeno[1,2-b]carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7cc9c%10ccccc%10n(-c%10ccccc%10)c9cc7-8)n6)cc5)c5oc6ccccc6c5c43)n2)cc1
InChIInChI=1S/C86H53N7O/c1-7-25-55(26-8-1)73-53-74(56-27-9-2-10-28-56)88-85(87-73)93-76-41-23-20-38-65(76)70-50-67(81-79(80(70)93)66-39-21-24-42-78(66)94-81)54-43-45-58(46-44-54)83-89-82(57-29-11-3-12-30-57)90-84(91-83)59-47-48-63-68-52-77-69(64-37-19-22-40-75(64)92(77)62-35-17-6-18-36-62)51-72(68)86(71(63)49-59,60-31-13-4-14-32-60)61-33-15-5-16-34-61/h1-53H
InChIKeyLAEAMGXPZZHTGV-UHFFFAOYSA-N
MW1200.42 g/mol
LogP21.12
Rot. Bonds10

About 12-(4,6-diphenylpyrimidin-2-yl)-6-[4-[4-phenyl-6-(5,11,11-triphenylindeno[1,2-b]carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole

12-(4,6-diphenylpyrimidin-2-yl)-6-[4-[4-phenyl-6-(5,11,11-triphenylindeno[1,2-b]carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 123737473) has the molecular formula C86H53N7O and a molecular weight of 1200.42 g/mol. Its IUPAC name is 12-(4,6-diphenylpyrimidin-2-yl)-6-[4-[4-phenyl-6-(5,11,11-triphenylindeno[1,2-b]carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-(4,6-diphenylpyrimidin-2-yl)-6-[4-[4-phenyl-6-(5,11,11-triphenylindeno[1,2-b]carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
PubChem CID123737473
Molecular FormulaC86H53N7O
Molecular Weight1200.42 g/mol
Exact Mass1199.43
IUPAC Name12-(4,6-diphenylpyrimidin-2-yl)-6-[4-[4-phenyl-6-(5,11,11-triphenylindeno[1,2-b]carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7cc9c%10ccccc%10n(-c%10ccccc%10)c9cc7-8)n6)cc5)c5oc6ccccc6c5c43)n2)cc1
InChIInChI=1S/C86H53N7O/c1-7-25-55(26-8-1)73-53-74(56-27-9-2-10-28-56)88-85(87-73)93-76-41-23-20-38-65(76)70-50-67(81-79(80(70)93)66-39-21-24-42-78(66)94-81)54-43-45-58(46-44-54)83-89-82(57-29-11-3-12-30-57)90-84(91-83)59-47-48-63-68-52-77-69(64-37-19-22-40-75(64)92(77)62-35-17-6-18-36-62)51-72(68)86(71(63)49-59,60-31-13-4-14-32-60)61-33-15-5-16-34-61/h1-53H
InChIKeyLAEAMGXPZZHTGV-UHFFFAOYSA-N
XLogP21.12
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001200.42
LogP ≤ 521.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 12-(4,6-diphenylpyrimidin-2-yl)-6-[4-[4-phenyl-6-(5,11,11-triphenylindeno[1,2-b]carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole with MolForge

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Related Compounds

15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,25,25-triphenyl-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 67472161
5'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 155159192
5-[3-[2-dibenzofuran-1-yl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole
CID 130327275
5-[1-[4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7-phenylindolo[2,3-b]carbazole
CID 163954156
11,11-bis(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[1,2-b]carbazole
CID 87413796
12-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-a]carbazole
CID 138649917
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7,7-triphenylindeno[2,1-b]carbazole;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 159431867
12-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 164954211
5-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole
CID 169014518
6-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 171730151
3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 161332282
5'-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 169015039

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenylpyrimidin-2-yl)-6-[4-[4-phenyl-6-(5,11,11-triphenylindeno[1,2-b]carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-(4,6-diphenylpyrimidin-2-yl)-6-[4-[4-phenyl-6-(5,11,11-triphenylindeno[1,2-b]carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole (CID 123737473) is 12-(4,6-diphenylpyrimidin-2-yl)-6-[4-[4-phenyl-6-(5,11,11-triphenylindeno[1,2-b]carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-(4,6-diphenylpyrimidin-2-yl)-6-[4-[4-phenyl-6-(5,11,11-triphenylindeno[1,2-b]carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-(4,6-diphenylpyrimidin-2-yl)-6-[4-[4-phenyl-6-(5,11,11-triphenylindeno[1,2-b]carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7cc9c%10ccccc%10n(-c%10ccccc%10)c9cc7-8)n6)cc5)c5oc6ccccc6c5c43)n2)cc1.
What is the InChIKey of 12-(4,6-diphenylpyrimidin-2-yl)-6-[4-[4-phenyl-6-(5,11,11-triphenylindeno[1,2-b]carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole?
The InChIKey is LAEAMGXPZZHTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H53N7O/c1-7-25-55(26-8-1)73-53-74(56-27-9-2-10-28-56)88-85(87-73)93-76-41-23-20-38-65(76)70-50-67(81-79(80(70)93)66-39-21-24-42-78(66)94-81)54-43-45-58(46-44-54)83-89-82(57-29-11-3-12-30-57)90-84(91-83)59-47-48-63-68-52-77-69(64-37-19-22-40-75(64)92(77)62-35-17-6-18-36-62)51-72(68)86(71(63)49-59,60-31-13-4-14-32-60)61-33-15-5-16-34-61/h1-53H.
What are the key properties of 12-(4,6-diphenylpyrimidin-2-yl)-6-[4-[4-phenyl-6-(5,11,11-triphenylindeno[1,2-b]carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole?
12-(4,6-diphenylpyrimidin-2-yl)-6-[4-[4-phenyl-6-(5,11,11-triphenylindeno[1,2-b]carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole has a molecular weight of 1200.42 g/mol, XLogP of 21.12, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-diphenylpyrimidin-2-yl)-6-[4-[4-phenyl-6-(5,11,11-triphenylindeno[1,2-b]carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 123737473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).