15,21-bis[2,6-bis(3-phenylphenyl)phenyl]-8,28-bis(3,5-ditert-butylphenyl)-18-(9,9-diphenylacridin-10-yl)-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6(11),7,9,13,16,18,20(35),22,24(32),25(30),26,28,33-pentadecaene

C143H114BN3O2 — CID 176828518

IUPAC15,21-bis[2,6-bis(3-phenylphenyl)phenyl]-8,28-bis(3,5-ditert-butylphenyl)-18-(9,9-diphenylacridin-10-yl)-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6(11),7,9,13,16,18,20(35),22,24(32),25(30),26,28,33-pentadecaene
SMILESCC(C)(C)c1cc(-c2ccc3c(c2)oc2cc4c(cc23)N(c2c(-c3cccc(-c5ccccc5)c3)cccc2-c2cccc(-c3ccccc3)c2)c2cc(N3c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc53)cc3c2B4c2cc4oc5cc(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)ccc5c4cc2N3c2c(-c3cccc(-c4ccccc4)c3)cccc2-c2cccc(-c3ccccc3)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C143H114BN3O2/c1-139(2,3)109-77-105(78-110(83-109)140(4,5)6)99-69-71-118-120-87-128-124(89-134(120)148-132(118)81-99)144-125-90-135-121(119-72-70-100(82-133(119)149-135)106-79-111(141(7,8)9)84-112(80-106)142(10,11)12)88-129(125)147(138-116(103-55-37-51-97(75-103)93-45-23-15-24-46-93)63-40-64-117(138)104-56-38-52-98(76-104)94-47-25-16-26-48-94)131-86-113(145-126-67-33-31-65-122(126)143(107-57-27-17-28-58-107,108-59-29-18-30-60-108)123-66-32-34-68-127(123)145)85-130(136(131)144)146(128)137-114(101-53-35-49-95(73-101)91-41-19-13-20-42-91)61-39-62-115(137)102-54-36-50-96(74-102)92-43-21-14-22-44-92/h13-90H,1-12H3
InChIKeyOYJPEEJCPMRCSY-UHFFFAOYSA-N
MW1917.32 g/mol
LogP37.59
Rot. Bonds15

About 15,21-bis[2,6-bis(3-phenylphenyl)phenyl]-8,28-bis(3,5-ditert-butylphenyl)-18-(9,9-diphenylacridin-10-yl)-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6(11),7,9,13,16,18,20(35),22,24(32),25(30),26,28,33-pentadecaene

15,21-bis[2,6-bis(3-phenylphenyl)phenyl]-8,28-bis(3,5-ditert-butylphenyl)-18-(9,9-diphenylacridin-10-yl)-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6(11),7,9,13,16,18,20(35),22,24(32),25(30),26,28,33-pentadecaene (PubChem CID 176828518) has the molecular formula C143H114BN3O2 and a molecular weight of 1917.32 g/mol. Its IUPAC name is 15,21-bis[2,6-bis(3-phenylphenyl)phenyl]-8,28-bis(3,5-ditert-butylphenyl)-18-(9,9-diphenylacridin-10-yl)-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6(11),7,9,13,16,18,20(35),22,24(32),25(30),26,28,33-pentadecaene.

Molecular Properties

Compound Name15,21-bis[2,6-bis(3-phenylphenyl)phenyl]-8,28-bis(3,5-ditert-butylphenyl)-18-(9,9-diphenylacridin-10-yl)-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6(11),7,9,13,16,18,20(35),22,24(32),25(30),26,28,33-pentadecaene
PubChem CID176828518
Molecular FormulaC143H114BN3O2
Molecular Weight1917.32 g/mol
Exact Mass1915.90
IUPAC Name15,21-bis[2,6-bis(3-phenylphenyl)phenyl]-8,28-bis(3,5-ditert-butylphenyl)-18-(9,9-diphenylacridin-10-yl)-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6(11),7,9,13,16,18,20(35),22,24(32),25(30),26,28,33-pentadecaene
SMILESCC(C)(C)c1cc(-c2ccc3c(c2)oc2cc4c(cc23)N(c2c(-c3cccc(-c5ccccc5)c3)cccc2-c2cccc(-c3ccccc3)c2)c2cc(N3c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc53)cc3c2B4c2cc4oc5cc(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)ccc5c4cc2N3c2c(-c3cccc(-c4ccccc4)c3)cccc2-c2cccc(-c3ccccc3)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C143H114BN3O2/c1-139(2,3)109-77-105(78-110(83-109)140(4,5)6)99-69-71-118-120-87-128-124(89-134(120)148-132(118)81-99)144-125-90-135-121(119-72-70-100(82-133(119)149-135)106-79-111(141(7,8)9)84-112(80-106)142(10,11)12)88-129(125)147(138-116(103-55-37-51-97(75-103)93-45-23-15-24-46-93)63-40-64-117(138)104-56-38-52-98(76-104)94-47-25-16-26-48-94)131-86-113(145-126-67-33-31-65-122(126)143(107-57-27-17-28-58-107,108-59-29-18-30-60-108)123-66-32-34-68-127(123)145)85-130(136(131)144)146(128)137-114(101-53-35-49-95(73-101)91-41-19-13-20-42-91)61-39-62-115(137)102-54-36-50-96(74-102)92-43-21-14-22-44-92/h13-90H,1-12H3
InChIKeyOYJPEEJCPMRCSY-UHFFFAOYSA-N
XLogP37.59
TPSA36.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms149
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001917.32
LogP ≤ 537.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 15,21-bis[2,6-bis(3-phenylphenyl)phenyl]-8,28-bis(3,5-ditert-butylphenyl)-18-(9,9-diphenylacridin-10-yl)-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6(11),7,9,13,16,18,20(35),22,24(32),25(30),26,28,33-pentadecaene with MolForge

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Related Compounds

15,21-bis[2-(3,5-ditert-butylphenyl)phenyl]-18-(3,5-diphenylphenyl)-8,28-diphenyl-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6(11),7,9,13,16,18,20(35),22,24(32),25(30),26,28,33-pentadecaene
CID 176828504
18-tert-butyl-15-[4-tert-butyl-2,6-bis(3-phenylphenyl)phenyl]-21-(4-tert-butyl-2,6-diphenylphenyl)-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22,24(32),25,27,29,33-pentadecaene
CID 176828479
15,21-bis[2,6-bis(3-phenylphenyl)phenyl]-18-phenyl-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22,24(32),25,27,29,33-pentadecaene
CID 168831494
14-(4-tert-butyl-2,6-diphenylphenyl)-4,17-bis(3,5-ditert-butylphenyl)-11-(9,9-diphenylfluoren-4-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 172526603
19-[2,6-bis(3-phenylphenyl)phenyl]-25-tert-butyl-16-dibenzofuran-3-yl-4,9-diphenyl-29-oxa-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.023,28.013,34]tetratriaconta-2,4,6(34),7(12),8,10,14(33),15,17,20,22(30),23(28),24,26,31-pentadecaene
CID 176812128
11-tert-butyl-8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-5-(3,5-ditert-butylphenyl)-17-[9-phenyl-9-(4-phenylphenyl)fluoren-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 171443737
8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,18-diphenyl-11-(9-phenylfluoren-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 169282180
11-tert-butyl-8,14-bis(2,6-diphenylphenyl)-4-(3,5-diphenylphenyl)-18-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 177078388
8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-5-(3,5-ditert-butylphenyl)-17-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-11-(9,9,10-triphenylacridin-2-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 172518428
11-tert-butyl-4-(3,5-ditert-butylphenyl)-8,14-bis(2,6-diphenylphenyl)-17-(9,9'-spirobi[fluorene]-1'-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 171443791
8,14-bis[2,6-bis(3-phenylphenyl)phenyl]-11-(9,9-dimethyl-10-phenylacridin-2-yl)-4,18-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 172518441
4-(4-tert-butylphenyl)-14-(4-tert-butyl-2-phenylphenyl)-17-(3,5-ditert-butylphenyl)-11-(9,9-diphenylfluoren-1-yl)-8-(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 171443470

Frequently Asked Questions

What is the IUPAC name of 15,21-bis[2,6-bis(3-phenylphenyl)phenyl]-8,28-bis(3,5-ditert-butylphenyl)-18-(9,9-diphenylacridin-10-yl)-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6(11),7,9,13,16,18,20(35),22,24(32),25(30),26,28,33-pentadecaene?
The IUPAC name of 15,21-bis[2,6-bis(3-phenylphenyl)phenyl]-8,28-bis(3,5-ditert-butylphenyl)-18-(9,9-diphenylacridin-10-yl)-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6(11),7,9,13,16,18,20(35),22,24(32),25(30),26,28,33-pentadecaene (CID 176828518) is 15,21-bis[2,6-bis(3-phenylphenyl)phenyl]-8,28-bis(3,5-ditert-butylphenyl)-18-(9,9-diphenylacridin-10-yl)-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6(11),7,9,13,16,18,20(35),22,24(32),25(30),26,28,33-pentadecaene.
What is the SMILES notation for 15,21-bis[2,6-bis(3-phenylphenyl)phenyl]-8,28-bis(3,5-ditert-butylphenyl)-18-(9,9-diphenylacridin-10-yl)-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6(11),7,9,13,16,18,20(35),22,24(32),25(30),26,28,33-pentadecaene?
The canonical SMILES for 15,21-bis[2,6-bis(3-phenylphenyl)phenyl]-8,28-bis(3,5-ditert-butylphenyl)-18-(9,9-diphenylacridin-10-yl)-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6(11),7,9,13,16,18,20(35),22,24(32),25(30),26,28,33-pentadecaene is CC(C)(C)c1cc(-c2ccc3c(c2)oc2cc4c(cc23)N(c2c(-c3cccc(-c5ccccc5)c3)cccc2-c2cccc(-c3ccccc3)c2)c2cc(N3c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc53)cc3c2B4c2cc4oc5cc(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)ccc5c4cc2N3c2c(-c3cccc(-c4ccccc4)c3)cccc2-c2cccc(-c3ccccc3)c2)cc(C(C)(C)C)c1.
What is the InChIKey of 15,21-bis[2,6-bis(3-phenylphenyl)phenyl]-8,28-bis(3,5-ditert-butylphenyl)-18-(9,9-diphenylacridin-10-yl)-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6(11),7,9,13,16,18,20(35),22,24(32),25(30),26,28,33-pentadecaene?
The InChIKey is OYJPEEJCPMRCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C143H114BN3O2/c1-139(2,3)109-77-105(78-110(83-109)140(4,5)6)99-69-71-118-120-87-128-124(89-134(120)148-132(118)81-99)144-125-90-135-121(119-72-70-100(82-133(119)149-135)106-79-111(141(7,8)9)84-112(80-106)142(10,11)12)88-129(125)147(138-116(103-55-37-51-97(75-103)93-45-23-15-24-46-93)63-40-64-117(138)104-56-38-52-98(76-104)94-47-25-16-26-48-94)131-86-113(145-126-67-33-31-65-122(126)143(107-57-27-17-28-58-107,108-59-29-18-30-60-108)123-66-32-34-68-127(123)145)85-130(136(131)144)146(128)137-114(101-53-35-49-95(73-101)91-41-19-13-20-42-91)61-39-62-115(137)102-54-36-50-96(74-102)92-43-21-14-22-44-92/h13-90H,1-12H3.
What are the key properties of 15,21-bis[2,6-bis(3-phenylphenyl)phenyl]-8,28-bis(3,5-ditert-butylphenyl)-18-(9,9-diphenylacridin-10-yl)-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6(11),7,9,13,16,18,20(35),22,24(32),25(30),26,28,33-pentadecaene?
15,21-bis[2,6-bis(3-phenylphenyl)phenyl]-8,28-bis(3,5-ditert-butylphenyl)-18-(9,9-diphenylacridin-10-yl)-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6(11),7,9,13,16,18,20(35),22,24(32),25(30),26,28,33-pentadecaene has a molecular weight of 1917.32 g/mol, XLogP of 37.59, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15,21-bis[2,6-bis(3-phenylphenyl)phenyl]-8,28-bis(3,5-ditert-butylphenyl)-18-(9,9-diphenylacridin-10-yl)-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6(11),7,9,13,16,18,20(35),22,24(32),25(30),26,28,33-pentadecaene is sourced from PubChem (CID 176828518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).