benzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carboxylate;dibenzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarboxylate;10-[3-[4-[2-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-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

C273H179B3N24O6 — CID 160872196

IUPACbenzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carboxylate;dibenzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarboxylate;10-[3-[4-[2-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-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
SMILESO=C(OCc1ccccc1)c1ccc2c(c1)c1cc(C(=O)OCc3ccccc3)ccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2cccc(-c3ccc4c5c3N(c3ccccc3)c3ccccc3B5c3ccccc3N4c3ccccc3)c2)n1.O=C(OCc1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2cccc(-c3ccc4c5c3N(c3ccccc3)c3ccccc3B5c3ccccc3N4c3ccccc3)c2)n1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6c4N(c4ccccc4)c4ccccc4B6c4ccccc4N5c4ccccc4)c3)n2)cc1
InChIInChI=1S/C95H63BN8O4.C91H59BN8.C87H57BN8O2/c105-94(107-60-62-27-8-1-9-28-62)70-48-52-82-75(57-70)76-58-71(95(106)108-61-63-29-10-2-11-30-63)49-53-83(76)104(82)84-51-47-68(81-59-80(64-31-12-3-13-32-64)97-90(98-81)65-33-14-4-15-34-65)56-77(84)93-100-91(66-35-16-5-17-36-66)99-92(101-93)69-38-26-37-67(55-69)74-50-54-87-88-89(74)103(73-41-20-7-21-42-73)86-46-25-23-44-79(86)96(88)78-43-22-24-45-85(78)102(87)72-39-18-6-19-40-72;1-8-27-60(28-9-1)65-47-51-80-73(56-65)74-57-66(61-29-10-2-11-30-61)48-52-81(74)100(80)82-53-49-68(79-59-78(62-31-12-3-13-32-62)93-88(94-79)63-33-14-4-15-34-63)58-75(82)91-96-89(64-35-16-5-17-36-64)95-90(97-91)69-38-26-37-67(55-69)72-50-54-85-86-87(72)99(71-41-20-7-21-42-71)84-46-25-23-44-77(84)92(86)76-43-22-24-45-83(76)98(85)70-39-18-6-19-40-70;97-87(98-56-57-26-7-1-8-27-57)64-47-50-76-69(54-64)68-40-19-22-43-75(68)96(76)77-49-46-62(74-55-73(58-28-9-2-10-29-58)89-83(90-74)59-30-11-3-12-31-59)53-70(77)86-92-84(60-32-13-4-14-33-60)91-85(93-86)63-35-25-34-61(52-63)67-48-51-80-81-82(67)95(66-38-17-6-18-39-66)79-45-24-21-42-72(79)88(81)71-41-20-23-44-78(71)94(80)65-36-15-5-16-37-65/h1-59H,60-61H2;1-59H;1-55H,56H2
InChIKeySLXAWCNQBVBOCS-UHFFFAOYSA-N
MW3924.03 g/mol
LogP59.94
Rot. Bonds41

About benzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carboxylate;dibenzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarboxylate;10-[3-[4-[2-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-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

benzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carboxylate;dibenzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarboxylate;10-[3-[4-[2-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-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 160872196) has the molecular formula C273H179B3N24O6 and a molecular weight of 3924.03 g/mol. Its IUPAC name is benzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carboxylate;dibenzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarboxylate;10-[3-[4-[2-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-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 Namebenzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carboxylate;dibenzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarboxylate;10-[3-[4-[2-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-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 CID160872196
Molecular FormulaC273H179B3N24O6
Molecular Weight3924.03 g/mol
Exact Mass3921.47
IUPAC Namebenzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carboxylate;dibenzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarboxylate;10-[3-[4-[2-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-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
SMILESO=C(OCc1ccccc1)c1ccc2c(c1)c1cc(C(=O)OCc3ccccc3)ccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2cccc(-c3ccc4c5c3N(c3ccccc3)c3ccccc3B5c3ccccc3N4c3ccccc3)c2)n1.O=C(OCc1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2cccc(-c3ccc4c5c3N(c3ccccc3)c3ccccc3B5c3ccccc3N4c3ccccc3)c2)n1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6c4N(c4ccccc4)c4ccccc4B6c4ccccc4N5c4ccccc4)c3)n2)cc1
InChIInChI=1S/C95H63BN8O4.C91H59BN8.C87H57BN8O2/c105-94(107-60-62-27-8-1-9-28-62)70-48-52-82-75(57-70)76-58-71(95(106)108-61-63-29-10-2-11-30-63)49-53-83(76)104(82)84-51-47-68(81-59-80(64-31-12-3-13-32-64)97-90(98-81)65-33-14-4-15-34-65)56-77(84)93-100-91(66-35-16-5-17-36-66)99-92(101-93)69-38-26-37-67(55-69)74-50-54-87-88-89(74)103(73-41-20-7-21-42-73)86-46-25-23-44-79(86)96(88)78-43-22-24-45-85(78)102(87)72-39-18-6-19-40-72;1-8-27-60(28-9-1)65-47-51-80-73(56-65)74-57-66(61-29-10-2-11-30-61)48-52-81(74)100(80)82-53-49-68(79-59-78(62-31-12-3-13-32-62)93-88(94-79)63-33-14-4-15-34-63)58-75(82)91-96-89(64-35-16-5-17-36-64)95-90(97-91)69-38-26-37-67(55-69)72-50-54-85-86-87(72)99(71-41-20-7-21-42-71)84-46-25-23-44-77(84)92(86)76-43-22-24-45-83(76)98(85)70-39-18-6-19-40-70;97-87(98-56-57-26-7-1-8-27-57)64-47-50-76-69(54-64)68-40-19-22-43-75(68)96(76)77-49-46-62(74-55-73(58-28-9-2-10-29-58)89-83(90-74)59-30-11-3-12-31-59)53-70(77)86-92-84(60-32-13-4-14-33-60)91-85(93-86)63-35-25-34-61(52-63)67-48-51-80-81-82(67)95(66-38-17-6-18-39-66)79-45-24-21-42-72(79)88(81)71-41-20-23-44-78(71)94(80)65-36-15-5-16-37-65/h1-59H,60-61H2;1-59H;1-55H,56H2
InChIKeySLXAWCNQBVBOCS-UHFFFAOYSA-N
XLogP59.94
TPSA306.48 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds41
Heavy Atoms306
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003924.03
LogP ≤ 559.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze benzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carboxylate;dibenzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarboxylate;10-[3-[4-[2-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-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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Frequently Asked Questions

What is the IUPAC name of benzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carboxylate;dibenzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarboxylate;10-[3-[4-[2-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-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 benzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carboxylate;dibenzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarboxylate;10-[3-[4-[2-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-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 160872196) is benzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carboxylate;dibenzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarboxylate;10-[3-[4-[2-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-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 benzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carboxylate;dibenzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarboxylate;10-[3-[4-[2-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-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 benzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carboxylate;dibenzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarboxylate;10-[3-[4-[2-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-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 O=C(OCc1ccccc1)c1ccc2c(c1)c1cc(C(=O)OCc3ccccc3)ccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2cccc(-c3ccc4c5c3N(c3ccccc3)c3ccccc3B5c3ccccc3N4c3ccccc3)c2)n1.O=C(OCc1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2cccc(-c3ccc4c5c3N(c3ccccc3)c3ccccc3B5c3ccccc3N4c3ccccc3)c2)n1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6c4N(c4ccccc4)c4ccccc4B6c4ccccc4N5c4ccccc4)c3)n2)cc1.
What is the InChIKey of benzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carboxylate;dibenzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarboxylate;10-[3-[4-[2-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-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 SLXAWCNQBVBOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H63BN8O4.C91H59BN8.C87H57BN8O2/c105-94(107-60-62-27-8-1-9-28-62)70-48-52-82-75(57-70)76-58-71(95(106)108-61-63-29-10-2-11-30-63)49-53-83(76)104(82)84-51-47-68(81-59-80(64-31-12-3-13-32-64)97-90(98-81)65-33-14-4-15-34-65)56-77(84)93-100-91(66-35-16-5-17-36-66)99-92(101-93)69-38-26-37-67(55-69)74-50-54-87-88-89(74)103(73-41-20-7-21-42-73)86-46-25-23-44-79(86)96(88)78-43-22-24-45-85(78)102(87)72-39-18-6-19-40-72;1-8-27-60(28-9-1)65-47-51-80-73(56-65)74-57-66(61-29-10-2-11-30-61)48-52-81(74)100(80)82-53-49-68(79-59-78(62-31-12-3-13-32-62)93-88(94-79)63-33-14-4-15-34-63)58-75(82)91-96-89(64-35-16-5-17-36-64)95-90(97-91)69-38-26-37-67(55-69)72-50-54-85-86-87(72)99(71-41-20-7-21-42-71)84-46-25-23-44-77(84)92(86)76-43-22-24-45-83(76)98(85)70-39-18-6-19-40-70;97-87(98-56-57-26-7-1-8-27-57)64-47-50-76-69(54-64)68-40-19-22-43-75(68)96(76)77-49-46-62(74-55-73(58-28-9-2-10-29-58)89-83(90-74)59-30-11-3-12-31-59)53-70(77)86-92-84(60-32-13-4-14-33-60)91-85(93-86)63-35-25-34-61(52-63)67-48-51-80-81-82(67)95(66-38-17-6-18-39-66)79-45-24-21-42-72(79)88(81)71-41-20-23-44-78(71)94(80)65-36-15-5-16-37-65/h1-59H,60-61H2;1-59H;1-55H,56H2.
What are the key properties of benzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carboxylate;dibenzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarboxylate;10-[3-[4-[2-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-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?
benzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carboxylate;dibenzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarboxylate;10-[3-[4-[2-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-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 3924.03 g/mol, XLogP of 59.94, 41 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carboxylate;dibenzyl 9-[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-phenyl-1,3,5-triazin-2-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarboxylate;10-[3-[4-[2-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-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 160872196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).