8-[3-[4-[4-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;10-[4-[4-[5-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

C340H215B4N33OS — CID 160810780

IUPAC8-[3-[4-[4-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;10-[4-[4-[5-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc7c8c6N(c6ccccc6)c6ccccc6B8c6ccccc6N7c6ccccc6)cc5)n4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc7c8c6N(c6ccccc6)c6ccccc6B8c6ccccc6N7c6ccccc6)cc5)n4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc7c8c6N(c6ccccc6)c6ccccc6B8c6ccccc6N7c6ccccc6)cc5)n4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5ccc(-c6cccc(N7c8ccccc8B8c9ccccc9N(c9ccccc9)c9cccc7c98)c6)cc5)n4)c3)n2)cc1
InChIInChI=1S/C91H58BN9.C85H53BN8O.C85H53BN8S.C79H51BN8/c1-7-27-60(28-8-1)76-57-77(61-29-9-2-10-30-61)94-90(93-76)64-51-53-80(101-79-44-24-20-40-70(79)72-56-71-69-39-19-23-43-78(69)98(84(71)58-85(72)101)65-33-13-4-14-34-65)73(55-64)91-96-88(62-31-11-3-12-32-62)95-89(97-91)63-49-47-59(48-50-63)68-52-54-83-86-87(68)100(67-37-17-6-18-38-67)82-46-26-22-42-75(82)92(86)74-41-21-25-45-81(74)99(83)66-35-15-5-16-36-66;2*1-6-24-55(25-7-1)69-53-70(56-26-8-2-9-27-56)88-84(87-69)59-46-49-72(94-71-38-20-16-35-65(71)78-75(94)50-48-64-63-34-17-23-41-77(63)95-81(64)78)66(52-59)85-90-82(57-28-10-3-11-29-57)89-83(91-85)58-44-42-54(43-45-58)62-47-51-76-79-80(62)93(61-32-14-5-15-33-61)74-40-22-19-37-68(74)86(79)67-36-18-21-39-73(67)92(76)60-30-12-4-13-31-60;1-5-23-53(24-6-1)66-51-67(54-25-7-2-8-26-54)82-78(81-66)58-47-48-70(88-68-37-17-13-33-61(68)62-34-14-18-38-69(62)88)63(50-58)79-84-76(55-27-9-3-10-28-55)83-77(85-79)56-45-43-52(44-46-56)57-29-21-32-60(49-57)87-72-40-20-16-36-65(72)80-64-35-15-19-39-71(64)86(59-30-11-4-12-31-59)73-41-22-42-74(87)75(73)80/h1-58H;2*1-53H;1-51H
InChIKeySEHDCRFVNRVZPD-UHFFFAOYSA-N
MW4854.00 g/mol
LogP77.41
Rot. Bonds41

About 8-[3-[4-[4-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;10-[4-[4-[5-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

8-[3-[4-[4-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;10-[4-[4-[5-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 160810780) has the molecular formula C340H215B4N33OS and a molecular weight of 4854.00 g/mol. Its IUPAC name is 8-[3-[4-[4-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;10-[4-[4-[5-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name8-[3-[4-[4-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;10-[4-[4-[5-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
PubChem CID160810780
Molecular FormulaC340H215B4N33OS
Molecular Weight4854.00 g/mol
Exact Mass4850.79
IUPAC Name8-[3-[4-[4-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;10-[4-[4-[5-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc7c8c6N(c6ccccc6)c6ccccc6B8c6ccccc6N7c6ccccc6)cc5)n4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc7c8c6N(c6ccccc6)c6ccccc6B8c6ccccc6N7c6ccccc6)cc5)n4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc7c8c6N(c6ccccc6)c6ccccc6B8c6ccccc6N7c6ccccc6)cc5)n4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5ccc(-c6cccc(N7c8ccccc8B8c9ccccc9N(c9ccccc9)c9cccc7c98)c6)cc5)n4)c3)n2)cc1
InChIInChI=1S/C91H58BN9.C85H53BN8O.C85H53BN8S.C79H51BN8/c1-7-27-60(28-8-1)76-57-77(61-29-9-2-10-30-61)94-90(93-76)64-51-53-80(101-79-44-24-20-40-70(79)72-56-71-69-39-19-23-43-78(69)98(84(71)58-85(72)101)65-33-13-4-14-34-65)73(55-64)91-96-88(62-31-11-3-12-32-62)95-89(97-91)63-49-47-59(48-50-63)68-52-54-83-86-87(68)100(67-37-17-6-18-38-67)82-46-26-22-42-75(82)92(86)74-41-21-25-45-81(74)99(83)66-35-15-5-16-36-66;2*1-6-24-55(25-7-1)69-53-70(56-26-8-2-9-27-56)88-84(87-69)59-46-49-72(94-71-38-20-16-35-65(71)78-75(94)50-48-64-63-34-17-23-41-77(63)95-81(64)78)66(52-59)85-90-82(57-28-10-3-11-29-57)89-83(91-85)58-44-42-54(43-45-58)62-47-51-76-79-80(62)93(61-32-14-5-15-33-61)74-40-22-19-37-68(74)86(79)67-36-18-21-39-73(67)92(76)60-30-12-4-13-31-60;1-5-23-53(24-6-1)66-51-67(54-25-7-2-8-26-54)82-78(81-66)58-47-48-70(88-68-37-17-13-33-61(68)62-34-14-18-38-69(62)88)63(50-58)79-84-76(55-27-9-3-10-28-55)83-77(85-79)56-45-43-52(44-46-56)57-29-21-32-60(49-57)87-72-40-20-16-36-65(72)80-64-35-15-19-39-71(64)86(59-30-11-4-12-31-59)73-41-22-42-74(87)75(73)80/h1-58H;2*1-53H;1-51H
InChIKeySEHDCRFVNRVZPD-UHFFFAOYSA-N
XLogP77.41
TPSA321.51 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds41
Heavy Atoms379
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004854.00
LogP ≤ 577.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 8-[3-[4-[4-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;10-[4-[4-[5-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene with MolForge

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Related Compounds

8-[3-[3-[4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-[3-[3-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-[3-[3-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 159310771
5-[4-(4,6-diphenylpyrimidin-2-yl)-2-[4-phenyl-6-[3-[3-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155785828
5-[2-[4-[3-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155785615
5-[2-[4-[3-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 155786004
5-[2-[2-[3-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenylpyrimidin-4-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155785231
5-[4-(4,6-diphenylpyrimidin-2-yl)-2-[4-phenyl-6-[3-[4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 155785563
8-[4-[4-[4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[4-[4-[4-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[6-phenyl-2-[4-[4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[6-phenyl-2-[4-[4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 160943019
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-[3-[4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155785531
5-[4-(2,6-diphenylpyrimidin-4-yl)-2-[4-[4-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 155785999
5-[2-[2-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-6-phenylpyrimidin-4-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155785396
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 155785459
10-[4-[4-[5-(2,6-diphenylpyrimidin-4-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 155785358

Frequently Asked Questions

What is the IUPAC name of 8-[3-[4-[4-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;10-[4-[4-[5-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The IUPAC name of 8-[3-[4-[4-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;10-[4-[4-[5-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 160810780) is 8-[3-[4-[4-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;10-[4-[4-[5-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.
What is the SMILES notation for 8-[3-[4-[4-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;10-[4-[4-[5-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The canonical SMILES for 8-[3-[4-[4-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;10-[4-[4-[5-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc7c8c6N(c6ccccc6)c6ccccc6B8c6ccccc6N7c6ccccc6)cc5)n4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc7c8c6N(c6ccccc6)c6ccccc6B8c6ccccc6N7c6ccccc6)cc5)n4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc7c8c6N(c6ccccc6)c6ccccc6B8c6ccccc6N7c6ccccc6)cc5)n4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5ccc(-c6cccc(N7c8ccccc8B8c9ccccc9N(c9ccccc9)c9cccc7c98)c6)cc5)n4)c3)n2)cc1.
What is the InChIKey of 8-[3-[4-[4-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;10-[4-[4-[5-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The InChIKey is SEHDCRFVNRVZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H58BN9.C85H53BN8O.C85H53BN8S.C79H51BN8/c1-7-27-60(28-8-1)76-57-77(61-29-9-2-10-30-61)94-90(93-76)64-51-53-80(101-79-44-24-20-40-70(79)72-56-71-69-39-19-23-43-78(69)98(84(71)58-85(72)101)65-33-13-4-14-34-65)73(55-64)91-96-88(62-31-11-3-12-32-62)95-89(97-91)63-49-47-59(48-50-63)68-52-54-83-86-87(68)100(67-37-17-6-18-38-67)82-46-26-22-42-75(82)92(86)74-41-21-25-45-81(74)99(83)66-35-15-5-16-36-66;2*1-6-24-55(25-7-1)69-53-70(56-26-8-2-9-27-56)88-84(87-69)59-46-49-72(94-71-38-20-16-35-65(71)78-75(94)50-48-64-63-34-17-23-41-77(63)95-81(64)78)66(52-59)85-90-82(57-28-10-3-11-29-57)89-83(91-85)58-44-42-54(43-45-58)62-47-51-76-79-80(62)93(61-32-14-5-15-33-61)74-40-22-19-37-68(74)86(79)67-36-18-21-39-73(67)92(76)60-30-12-4-13-31-60;1-5-23-53(24-6-1)66-51-67(54-25-7-2-8-26-54)82-78(81-66)58-47-48-70(88-68-37-17-13-33-61(68)62-34-14-18-38-69(62)88)63(50-58)79-84-76(55-27-9-3-10-28-55)83-77(85-79)56-45-43-52(44-46-56)57-29-21-32-60(49-57)87-72-40-20-16-36-65(72)80-64-35-15-19-39-71(64)86(59-30-11-4-12-31-59)73-41-22-42-74(87)75(73)80/h1-58H;2*1-53H;1-51H.
What are the key properties of 8-[3-[4-[4-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;10-[4-[4-[5-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
8-[3-[4-[4-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;10-[4-[4-[5-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 4854.00 g/mol, XLogP of 77.41, 41 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[4-[4-[2-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[4-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;10-[4-[4-[5-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 160810780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).