11-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-8,14-bis[2-(3,5-ditert-butylphenyl)dibenzofuran-1-yl]-5,17-bis(2-phenylcarbazol-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

C124H96BN5O2 — CID 177067487

IUPAC11-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-8,14-bis[2-(3,5-ditert-butylphenyl)dibenzofuran-1-yl]-5,17-bis(2-phenylcarbazol-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
SMILESCC(C)(C)c1cc(-c2ccc3oc4ccccc4c3c2N2c3cc(-n4c5ccccc5c5ccc(-c6ccccc6)cc54)ccc3B3c4ccc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)cc4N(c4c(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)ccc5oc6ccccc6c45)c4cc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)cc2c43)cc(C(C)(C)C)c1
InChIInChI=1S/C124H96BN5O2/c1-121(2,3)81-59-79(60-82(69-81)122(4,5)6)87-53-57-113-115(95-39-23-29-45-111(95)131-113)119(87)129-107-71-85(126-101-41-25-19-35-89(101)93-51-47-75(65-105(93)126)73-31-15-13-16-32-73)49-55-99(107)125-100-56-50-86(127-102-42-26-20-36-90(102)94-52-48-76(66-106(94)127)74-33-17-14-18-34-74)72-108(100)130(120-88(54-58-114-116(120)96-40-24-30-46-112(96)132-114)80-61-83(123(7,8)9)70-84(62-80)124(10,11)12)110-68-78(67-109(129)117(110)125)77-63-97-91-37-21-27-43-103(91)128-104-44-28-22-38-92(104)98(64-77)118(97)128/h13-72H,1-12H3
InChIKeyBKANYPMBNKONAD-UHFFFAOYSA-N
MW1698.98 g/mol
LogP32.44
Rot. Bonds9

About 11-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-8,14-bis[2-(3,5-ditert-butylphenyl)dibenzofuran-1-yl]-5,17-bis(2-phenylcarbazol-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

11-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-8,14-bis[2-(3,5-ditert-butylphenyl)dibenzofuran-1-yl]-5,17-bis(2-phenylcarbazol-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 (PubChem CID 177067487) has the molecular formula C124H96BN5O2 and a molecular weight of 1698.98 g/mol. Its IUPAC name is 11-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-8,14-bis[2-(3,5-ditert-butylphenyl)dibenzofuran-1-yl]-5,17-bis(2-phenylcarbazol-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.

Molecular Properties

Compound Name11-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-8,14-bis[2-(3,5-ditert-butylphenyl)dibenzofuran-1-yl]-5,17-bis(2-phenylcarbazol-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
PubChem CID177067487
Molecular FormulaC124H96BN5O2
Molecular Weight1698.98 g/mol
Exact Mass1697.77
IUPAC Name11-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-8,14-bis[2-(3,5-ditert-butylphenyl)dibenzofuran-1-yl]-5,17-bis(2-phenylcarbazol-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
SMILESCC(C)(C)c1cc(-c2ccc3oc4ccccc4c3c2N2c3cc(-n4c5ccccc5c5ccc(-c6ccccc6)cc54)ccc3B3c4ccc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)cc4N(c4c(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)ccc5oc6ccccc6c45)c4cc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)cc2c43)cc(C(C)(C)C)c1
InChIInChI=1S/C124H96BN5O2/c1-121(2,3)81-59-79(60-82(69-81)122(4,5)6)87-53-57-113-115(95-39-23-29-45-111(95)131-113)119(87)129-107-71-85(126-101-41-25-19-35-89(101)93-51-47-75(65-105(93)126)73-31-15-13-16-32-73)49-55-99(107)125-100-56-50-86(127-102-42-26-20-36-90(102)94-52-48-76(66-106(94)127)74-33-17-14-18-34-74)72-108(100)130(120-88(54-58-114-116(120)96-40-24-30-46-112(96)132-114)80-61-83(123(7,8)9)70-84(62-80)124(10,11)12)110-68-78(67-109(129)117(110)125)77-63-97-91-37-21-27-43-103(91)128-104-44-28-22-38-92(104)98(64-77)118(97)128/h13-72H,1-12H3
InChIKeyBKANYPMBNKONAD-UHFFFAOYSA-N
XLogP32.44
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001698.98
LogP ≤ 532.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 11-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-8,14-bis[2-(3,5-ditert-butylphenyl)dibenzofuran-1-yl]-5,17-bis(2-phenylcarbazol-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 with MolForge

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Related Compounds

11-tert-butyl-5,17-bis(3,6-ditert-butylcarbazol-9-yl)-8,14-bis(2-phenyldibenzofuran-1-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 177067600
8,14-bis[4-tert-butyl-2-(3-tert-butylphenyl)dibenzofuran-1-yl]-11-(3,5-ditert-butylphenyl)-5,17-bis(3-phenylcarbazol-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 177067407
8-(4-tert-butyl-2,6-diphenylphenyl)-5-dibenzofuran-2-yl-17-(3,5-ditert-butylphenyl)-14-[4-(3,5-ditert-butylphenyl)phenyl]-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 168725876
8,14-bis[2,4-bis(3-tert-butylphenyl)dibenzofuran-1-yl]-11-tert-butyl-17-(3-phenylcarbazol-9-yl)-4-(3-phenylphenyl)-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 177067445
8,14-bis[4-tert-butyl-2,6-di(dibenzofuran-1-yl)phenyl]-17-(3,6-ditert-butylcarbazol-9-yl)-11-(3,5-ditert-butylphenyl)-4-(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 171596181
5,51-bis([1]benzofuro[2,3-a]carbazol-12-yl)-44-tert-butyl-10,39-diphenyl-56-oxa-8,41-diaza-1-boratridecacyclo[39.6.6.115,19.120,24.123,26.125,29.130,34.02,7.08,46.09,14.035,40.042,47.048,53]octapentaconta-2(7),3,5,9,11,13,15,17,19(58),20(57),21,23,25,27,29(55),30(54),31,33,35,37,39,42(47),43,45,48(53),49,51-heptacosaene
CID 177107531
11-tert-butyl-5-dibenzofuran-2-yl-17-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-8,14-bis(2,4,6-triphenylphenyl)-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 168725752
11-(4-carbazol-9-yldibenzofuran-2-yl)-5-(3,5-ditert-butylphenyl)-8,14-bis(2,6-diphenylphenyl)-17-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-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 169283507
8-[4-tert-butyl-2,6-di(dibenzofuran-1-yl)phenyl]-14-(4-tert-butyl-2,6-diphenylphenyl)-17-(3,6-ditert-butylcarbazol-9-yl)-11-(3,5-ditert-butylphenyl)-4-(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 171596274
24-carbazol-9-yl-18-dibenzofuran-2-yl-15,21-bis(2,6-diphenylphenyl)-11-phenyl-11,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene
CID 176815103
11-tert-butyl-5-carbazol-9-yl-17-(9-phenylcarbazol-3-yl)-8,14-bis(2,4,6-triphenylphenyl)-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 174061481
8-[4-tert-butyl-2,6-di(dibenzofuran-1-yl)phenyl]-14-(4-tert-butyl-2,6-diphenylphenyl)-5,17-bis(3,6-ditert-butylcarbazol-9-yl)-11-(3,5-ditert-butylphenyl)-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 171596145

Frequently Asked Questions

What is the IUPAC name of 11-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-8,14-bis[2-(3,5-ditert-butylphenyl)dibenzofuran-1-yl]-5,17-bis(2-phenylcarbazol-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?
The IUPAC name of 11-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-8,14-bis[2-(3,5-ditert-butylphenyl)dibenzofuran-1-yl]-5,17-bis(2-phenylcarbazol-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 177067487) is 11-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-8,14-bis[2-(3,5-ditert-butylphenyl)dibenzofuran-1-yl]-5,17-bis(2-phenylcarbazol-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.
What is the SMILES notation for 11-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-8,14-bis[2-(3,5-ditert-butylphenyl)dibenzofuran-1-yl]-5,17-bis(2-phenylcarbazol-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?
The canonical SMILES for 11-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-8,14-bis[2-(3,5-ditert-butylphenyl)dibenzofuran-1-yl]-5,17-bis(2-phenylcarbazol-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 is CC(C)(C)c1cc(-c2ccc3oc4ccccc4c3c2N2c3cc(-n4c5ccccc5c5ccc(-c6ccccc6)cc54)ccc3B3c4ccc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)cc4N(c4c(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)ccc5oc6ccccc6c45)c4cc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)cc2c43)cc(C(C)(C)C)c1.
What is the InChIKey of 11-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-8,14-bis[2-(3,5-ditert-butylphenyl)dibenzofuran-1-yl]-5,17-bis(2-phenylcarbazol-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?
The InChIKey is BKANYPMBNKONAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H96BN5O2/c1-121(2,3)81-59-79(60-82(69-81)122(4,5)6)87-53-57-113-115(95-39-23-29-45-111(95)131-113)119(87)129-107-71-85(126-101-41-25-19-35-89(101)93-51-47-75(65-105(93)126)73-31-15-13-16-32-73)49-55-99(107)125-100-56-50-86(127-102-42-26-20-36-90(102)94-52-48-76(66-106(94)127)74-33-17-14-18-34-74)72-108(100)130(120-88(54-58-114-116(120)96-40-24-30-46-112(96)132-114)80-61-83(123(7,8)9)70-84(62-80)124(10,11)12)110-68-78(67-109(129)117(110)125)77-63-97-91-37-21-27-43-103(91)128-104-44-28-22-38-92(104)98(64-77)118(97)128/h13-72H,1-12H3.
What are the key properties of 11-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-8,14-bis[2-(3,5-ditert-butylphenyl)dibenzofuran-1-yl]-5,17-bis(2-phenylcarbazol-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?
11-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-8,14-bis[2-(3,5-ditert-butylphenyl)dibenzofuran-1-yl]-5,17-bis(2-phenylcarbazol-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 has a molecular weight of 1698.98 g/mol, XLogP of 32.44, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-8,14-bis[2-(3,5-ditert-butylphenyl)dibenzofuran-1-yl]-5,17-bis(2-phenylcarbazol-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 is sourced from PubChem (CID 177067487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).