8,14-bis(3,5-ditert-butylphenyl)-11-(2,7-diphenylcarbazol-9-yl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-ditert-butylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C432H352B4N12 — CID 157183305

IUPAC8,14-bis(3,5-ditert-butylphenyl)-11-(2,7-diphenylcarbazol-9-yl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-ditert-butylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
SMILESCC(C)(C)c1cc(N2c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3B3c4cc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)ccc4N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(-n5c6cc(-c7ccccc7)ccc6c6ccc(-c7ccccc7)cc65)cc2c43)cc(C(C)(C)C)c1.CC(C)(C)c1cc(N2c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3B3c4cc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)ccc4N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(-n5c6cc(C(C)(C)C)ccc6c6ccc(C(C)(C)C)cc65)cc2c43)cc(C(C)(C)C)c1.CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3cc4c5c(c3)N(c3cc(-c6ccccc6)cc(-c6ccccc6)c3)c3ccc(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc3B5c3cc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)ccc3N4c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2c1.c1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)B4c6cc(-c7ccc(-c8ccc(-c9ccccc9)cc8)cc7)ccc6N(c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6cc(-n7c8cc(-c9ccccc9)ccc8c8ccc(-c9ccccc9)cc87)cc(c64)N5c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C114H76BN3.C110H84BN3.C106H92BN3.C102H100BN3/c1-9-25-77(26-10-1)85-41-45-87(46-42-85)89-49-53-91(54-50-89)93-59-63-108-106(71-93)115-107-72-94(92-55-51-90(52-56-92)88-47-43-86(44-48-88)78-27-11-2-12-28-78)60-64-109(107)117(102-69-99(83-37-21-7-22-38-83)66-100(70-102)84-39-23-8-24-40-84)113-76-103(75-112(114(113)115)116(108)101-67-97(81-33-17-5-18-34-81)65-98(68-101)82-35-19-6-20-36-82)118-110-73-95(79-29-13-3-14-30-79)57-61-104(110)105-62-58-96(74-111(105)118)80-31-15-4-16-32-80;1-109(2,3)93-55-57-98-99-58-56-94(110(4,5)6)70-105(99)114(104(98)69-93)97-71-106-108-107(72-97)113(96-65-91(77-33-21-11-22-34-77)62-92(66-96)78-35-23-12-24-36-78)103-60-54-88(86-51-47-84(48-52-86)82-43-39-80(40-44-82)74-27-15-8-16-28-74)68-101(103)111(108)100-67-87(85-49-45-83(46-50-85)81-41-37-79(38-42-81)73-25-13-7-14-26-73)53-59-102(100)112(106)95-63-89(75-29-17-9-18-30-75)61-90(64-95)76-31-19-10-20-32-76;1-103(2,3)85-61-86(104(4,5)6)64-89(63-85)108-96-55-51-81(79-45-41-77(42-46-79)75-37-33-73(34-38-75)69-25-17-13-18-26-69)57-94(96)107-95-58-82(80-47-43-78(44-48-80)76-39-35-74(36-40-76)70-27-19-14-20-28-70)52-56-97(95)109(90-65-87(105(7,8)9)62-88(66-90)106(10,11)12)101-68-91(67-100(108)102(101)107)110-98-59-83(71-29-21-15-22-30-71)49-53-92(98)93-54-50-84(60-99(93)110)72-31-23-16-24-32-72;1-97(2,3)77-47-49-86-87-50-48-78(98(4,5)6)62-93(87)106(92(86)61-77)85-63-94-96-95(64-85)105(84-59-81(101(13,14)15)56-82(60-84)102(16,17)18)91-52-46-76(74-43-39-72(40-44-74)70-35-31-68(32-36-70)66-27-23-20-24-28-66)54-89(91)103(96)88-53-75(45-51-90(88)104(94)83-57-79(99(7,8)9)55-80(58-83)100(10,11)12)73-41-37-71(38-42-73)69-33-29-67(30-34-69)65-25-21-19-22-26-65/h1-76H;7-72H,1-6H3;13-68H,1-12H3;19-64H,1-18H3
InChIKeyAOUVKZQEBSNJAX-UHFFFAOYSA-N
MW5754.90 g/mol
LogP111.05
Rot. Bonds48

About 8,14-bis(3,5-ditert-butylphenyl)-11-(2,7-diphenylcarbazol-9-yl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-ditert-butylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

8,14-bis(3,5-ditert-butylphenyl)-11-(2,7-diphenylcarbazol-9-yl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-ditert-butylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 157183305) has the molecular formula C432H352B4N12 and a molecular weight of 5754.90 g/mol. Its IUPAC name is 8,14-bis(3,5-ditert-butylphenyl)-11-(2,7-diphenylcarbazol-9-yl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-ditert-butylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

Compound Name8,14-bis(3,5-ditert-butylphenyl)-11-(2,7-diphenylcarbazol-9-yl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-ditert-butylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
PubChem CID157183305
Molecular FormulaC432H352B4N12
Molecular Weight5754.90 g/mol
Exact Mass5750.83
IUPAC Name8,14-bis(3,5-ditert-butylphenyl)-11-(2,7-diphenylcarbazol-9-yl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-ditert-butylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
SMILESCC(C)(C)c1cc(N2c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3B3c4cc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)ccc4N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(-n5c6cc(-c7ccccc7)ccc6c6ccc(-c7ccccc7)cc65)cc2c43)cc(C(C)(C)C)c1.CC(C)(C)c1cc(N2c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3B3c4cc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)ccc4N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(-n5c6cc(C(C)(C)C)ccc6c6ccc(C(C)(C)C)cc65)cc2c43)cc(C(C)(C)C)c1.CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3cc4c5c(c3)N(c3cc(-c6ccccc6)cc(-c6ccccc6)c3)c3ccc(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc3B5c3cc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)ccc3N4c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2c1.c1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)B4c6cc(-c7ccc(-c8ccc(-c9ccccc9)cc8)cc7)ccc6N(c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6cc(-n7c8cc(-c9ccccc9)ccc8c8ccc(-c9ccccc9)cc87)cc(c64)N5c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C114H76BN3.C110H84BN3.C106H92BN3.C102H100BN3/c1-9-25-77(26-10-1)85-41-45-87(46-42-85)89-49-53-91(54-50-89)93-59-63-108-106(71-93)115-107-72-94(92-55-51-90(52-56-92)88-47-43-86(44-48-88)78-27-11-2-12-28-78)60-64-109(107)117(102-69-99(83-37-21-7-22-38-83)66-100(70-102)84-39-23-8-24-40-84)113-76-103(75-112(114(113)115)116(108)101-67-97(81-33-17-5-18-34-81)65-98(68-101)82-35-19-6-20-36-82)118-110-73-95(79-29-13-3-14-30-79)57-61-104(110)105-62-58-96(74-111(105)118)80-31-15-4-16-32-80;1-109(2,3)93-55-57-98-99-58-56-94(110(4,5)6)70-105(99)114(104(98)69-93)97-71-106-108-107(72-97)113(96-65-91(77-33-21-11-22-34-77)62-92(66-96)78-35-23-12-24-36-78)103-60-54-88(86-51-47-84(48-52-86)82-43-39-80(40-44-82)74-27-15-8-16-28-74)68-101(103)111(108)100-67-87(85-49-45-83(46-50-85)81-41-37-79(38-42-81)73-25-13-7-14-26-73)53-59-102(100)112(106)95-63-89(75-29-17-9-18-30-75)61-90(64-95)76-31-19-10-20-32-76;1-103(2,3)85-61-86(104(4,5)6)64-89(63-85)108-96-55-51-81(79-45-41-77(42-46-79)75-37-33-73(34-38-75)69-25-17-13-18-26-69)57-94(96)107-95-58-82(80-47-43-78(44-48-80)76-39-35-74(36-40-76)70-27-19-14-20-28-70)52-56-97(95)109(90-65-87(105(7,8)9)62-88(66-90)106(10,11)12)101-68-91(67-100(108)102(101)107)110-98-59-83(71-29-21-15-22-30-71)49-53-92(98)93-54-50-84(60-99(93)110)72-31-23-16-24-32-72;1-97(2,3)77-47-49-86-87-50-48-78(98(4,5)6)62-93(87)106(92(86)61-77)85-63-94-96-95(64-85)105(84-59-81(101(13,14)15)56-82(60-84)102(16,17)18)91-52-46-76(74-43-39-72(40-44-74)70-35-31-68(32-36-70)66-27-23-20-24-28-66)54-89(91)103(96)88-53-75(45-51-90(88)104(94)83-57-79(99(7,8)9)55-80(58-83)100(10,11)12)73-41-37-71(38-42-73)69-33-29-67(30-34-69)65-25-21-19-22-26-65/h1-76H;7-72H,1-6H3;13-68H,1-12H3;19-64H,1-18H3
InChIKeyAOUVKZQEBSNJAX-UHFFFAOYSA-N
XLogP111.05
TPSA45.64 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds48
Heavy Atoms448
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005754.90
LogP ≤ 5111.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 8,14-bis(3,5-ditert-butylphenyl)-11-(2,7-diphenylcarbazol-9-yl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-ditert-butylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene with MolForge

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Related Compounds

4,18-ditert-butyl-8,14-bis(3,5-ditert-butylphenyl)-11-(2,7-diphenylcarbazol-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 155618066
8,14-bis(4-tert-butylphenyl)-11-(2,7-diphenylcarbazol-9-yl)-4,18-dimethyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 155618104
8,14-bis[4-(4-tert-butylphenyl)phenyl]-5,17-bis(2,7-ditert-butylcarbazol-9-yl)-11-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 177277015
11-[2,7-bis(3,5-diphenylphenyl)carbazol-9-yl]-4,18-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 155618047
5-carbazol-9-yl-11-(3,6-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-ditert-butylphenyl)-17-(3-phenylcarbazol-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 170669459
11-[2,7-bis(3,5-diphenylphenyl)carbazol-9-yl]-8,14-diphenyl-4,18-dipyridin-4-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 155618131
5,11,17-tris(2,7-ditert-butylcarbazol-9-yl)-8,14-bis[4-(2-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 177276886
11-(6-tert-butyl-1,2,3,4-tetradeuteriocarbazol-9-yl)-4,18-bis[3-(3,5-ditert-butylphenyl)phenyl]-8,14-bis(2,6-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 169076564
14-(4-tert-butyl-2,6-diphenylphenyl)-5-carbazol-9-yl-11-(3-carbazol-9-ylcarbazol-9-yl)-17-(3,6-ditert-butylcarbazol-9-yl)-8-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 174136798
11-(6-tert-butyl-1,2,3,4-tetradeuteriocarbazol-9-yl)-8,14-bis(2,6-diphenylphenyl)-4,18-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 169076507
8,14-bis(3,5-ditert-butylphenyl)-5,17-diphenyl-11-(9-phenylcarbazol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 164936353
11-[4,6-bis(3,5-ditert-butylphenyl)-2-pyridinyl]-4,18-ditert-butyl-8-(3,5-ditert-butylphenyl)-14-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 164941380

Frequently Asked Questions

What is the IUPAC name of 8,14-bis(3,5-ditert-butylphenyl)-11-(2,7-diphenylcarbazol-9-yl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-ditert-butylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The IUPAC name of 8,14-bis(3,5-ditert-butylphenyl)-11-(2,7-diphenylcarbazol-9-yl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-ditert-butylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 157183305) is 8,14-bis(3,5-ditert-butylphenyl)-11-(2,7-diphenylcarbazol-9-yl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-ditert-butylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.
What is the SMILES notation for 8,14-bis(3,5-ditert-butylphenyl)-11-(2,7-diphenylcarbazol-9-yl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-ditert-butylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The canonical SMILES for 8,14-bis(3,5-ditert-butylphenyl)-11-(2,7-diphenylcarbazol-9-yl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-ditert-butylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is CC(C)(C)c1cc(N2c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3B3c4cc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)ccc4N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(-n5c6cc(-c7ccccc7)ccc6c6ccc(-c7ccccc7)cc65)cc2c43)cc(C(C)(C)C)c1.CC(C)(C)c1cc(N2c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3B3c4cc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)ccc4N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(-n5c6cc(C(C)(C)C)ccc6c6ccc(C(C)(C)C)cc65)cc2c43)cc(C(C)(C)C)c1.CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3cc4c5c(c3)N(c3cc(-c6ccccc6)cc(-c6ccccc6)c3)c3ccc(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc3B5c3cc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)ccc3N4c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2c1.c1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)B4c6cc(-c7ccc(-c8ccc(-c9ccccc9)cc8)cc7)ccc6N(c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6cc(-n7c8cc(-c9ccccc9)ccc8c8ccc(-c9ccccc9)cc87)cc(c64)N5c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of 8,14-bis(3,5-ditert-butylphenyl)-11-(2,7-diphenylcarbazol-9-yl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-ditert-butylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The InChIKey is AOUVKZQEBSNJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H76BN3.C110H84BN3.C106H92BN3.C102H100BN3/c1-9-25-77(26-10-1)85-41-45-87(46-42-85)89-49-53-91(54-50-89)93-59-63-108-106(71-93)115-107-72-94(92-55-51-90(52-56-92)88-47-43-86(44-48-88)78-27-11-2-12-28-78)60-64-109(107)117(102-69-99(83-37-21-7-22-38-83)66-100(70-102)84-39-23-8-24-40-84)113-76-103(75-112(114(113)115)116(108)101-67-97(81-33-17-5-18-34-81)65-98(68-101)82-35-19-6-20-36-82)118-110-73-95(79-29-13-3-14-30-79)57-61-104(110)105-62-58-96(74-111(105)118)80-31-15-4-16-32-80;1-109(2,3)93-55-57-98-99-58-56-94(110(4,5)6)70-105(99)114(104(98)69-93)97-71-106-108-107(72-97)113(96-65-91(77-33-21-11-22-34-77)62-92(66-96)78-35-23-12-24-36-78)103-60-54-88(86-51-47-84(48-52-86)82-43-39-80(40-44-82)74-27-15-8-16-28-74)68-101(103)111(108)100-67-87(85-49-45-83(46-50-85)81-41-37-79(38-42-81)73-25-13-7-14-26-73)53-59-102(100)112(106)95-63-89(75-29-17-9-18-30-75)61-90(64-95)76-31-19-10-20-32-76;1-103(2,3)85-61-86(104(4,5)6)64-89(63-85)108-96-55-51-81(79-45-41-77(42-46-79)75-37-33-73(34-38-75)69-25-17-13-18-26-69)57-94(96)107-95-58-82(80-47-43-78(44-48-80)76-39-35-74(36-40-76)70-27-19-14-20-28-70)52-56-97(95)109(90-65-87(105(7,8)9)62-88(66-90)106(10,11)12)101-68-91(67-100(108)102(101)107)110-98-59-83(71-29-21-15-22-30-71)49-53-92(98)93-54-50-84(60-99(93)110)72-31-23-16-24-32-72;1-97(2,3)77-47-49-86-87-50-48-78(98(4,5)6)62-93(87)106(92(86)61-77)85-63-94-96-95(64-85)105(84-59-81(101(13,14)15)56-82(60-84)102(16,17)18)91-52-46-76(74-43-39-72(40-44-74)70-35-31-68(32-36-70)66-27-23-20-24-28-66)54-89(91)103(96)88-53-75(45-51-90(88)104(94)83-57-79(99(7,8)9)55-80(58-83)100(10,11)12)73-41-37-71(38-42-73)69-33-29-67(30-34-69)65-25-21-19-22-26-65/h1-76H;7-72H,1-6H3;13-68H,1-12H3;19-64H,1-18H3.
What are the key properties of 8,14-bis(3,5-ditert-butylphenyl)-11-(2,7-diphenylcarbazol-9-yl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-ditert-butylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
8,14-bis(3,5-ditert-butylphenyl)-11-(2,7-diphenylcarbazol-9-yl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-ditert-butylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 5754.90 g/mol, XLogP of 111.05, 48 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8,14-bis(3,5-ditert-butylphenyl)-11-(2,7-diphenylcarbazol-9-yl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-ditert-butylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-(2,7-diphenylcarbazol-9-yl)-8,14-bis(3,5-diphenylphenyl)-4,18-bis[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 157183305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).