23,28-ditert-butyl-11-[3-[2-[23-tert-butyl-11-[3-[2-(23-tert-butyl-16-dibenzofuran-4-yl-11,12-diphenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl)-2-methylpropyl]phenyl]-16-naphthalen-1-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl]-2-methylpropyl]phenyl]-16-naphthalen-2-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene

C182H137B3N6O — CID 174031922

About 23,28-ditert-butyl-11-[3-[2-[23-tert-butyl-11-[3-[2-(23-tert-butyl-16-dibenzofuran-4-yl-11,12-diphenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl)-2-methylpropyl]phenyl]-16-naphthalen-1-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl]-2-methylpropyl]phenyl]-16-naphthalen-2-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene

23,28-ditert-butyl-11-[3-[2-[23-tert-butyl-11-[3-[2-(23-tert-butyl-16-dibenzofuran-4-yl-11,12-diphenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl)-2-methylpropyl]phenyl]-16-naphthalen-1-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl]-2-methylpropyl]phenyl]-16-naphthalen-2-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene (PubChem CID 174031922) has the molecular formula C182H137B3N6O and a molecular weight of 2456.57 g/mol. Its IUPAC name is 23,28-ditert-butyl-11-[3-[2-[23-tert-butyl-11-[3-[2-(23-tert-butyl-16-dibenzofuran-4-yl-11,12-diphenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl)-2-methylpropyl]phenyl]-16-naphthalen-1-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl]-2-methylpropyl]phenyl]-16-naphthalen-2-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene.

Molecular Properties

• Compound Name: 23,28-ditert-butyl-11-[3-[2-[23-tert-butyl-11-[3-[2-(23-tert-butyl-16-dibenzofuran-4-yl-11,12-diphenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl)-2-methylpropyl]phenyl]-16-naphthalen-1-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl]-2-methylpropyl]phenyl]-16-naphthalen-2-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene
• PubChem CID: 174031922
• Molecular Formula: C182H137B3N6O
• Molecular Weight: 2456.57 g/mol
• Exact Mass: 2455.11
• IUPAC Name: 23,28-ditert-butyl-11-[3-[2-[23-tert-butyl-11-[3-[2-(23-tert-butyl-16-dibenzofuran-4-yl-11,12-diphenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl)-2-methylpropyl]phenyl]-16-naphthalen-1-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl]-2-methylpropyl]phenyl]-16-naphthalen-2-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c1n2-c1cc(-c2ccc4ccccc4c2)cc2c1B3c1c3ccccc3cc3c(-c4cccc(CC(C)(C)c5cc6c7c(c5)c5cc(C(C)(C)C)ccc5n7-c5cc(-c7cccc8ccccc78)cc7c5B6c5c6ccccc6cc6c(-c8cccc(CC(C)(C)c9cc%10c%11c(c9)c9cc(C(C)(C)C)ccc9n%11-c9cc(-c%11cccc%12c%11oc%11ccccc%11%12)cc%11c9B%10c9c%10ccccc%10cc%10c(-c%12ccccc%12)c(-c%12ccccc%12)n-%11c9%10)c8)c(-c8ccccc8)n-7c56)c4)c(-c4ccccc4)n-2c13
• InChI: InChI=1S/C182H137B3N6O/c1-177(2,3)122-75-78-148-136(93-122)139-96-125(180(10,11)12)99-145-170(139)186(148)151-87-119(113-74-73-106-47-29-30-57-112(106)83-113)88-154-164(151)183(145)162-131-66-37-33-59-115(131)85-143-159(168(189(154)174(143)162)110-53-25-19-26-54-110)117-62-41-45-104(81-117)102-181(13,14)126-97-140-137-94-123(178(4,5)6)76-79-149(137)187-152-89-120(129-69-43-61-107-48-31-35-64-128(107)129)90-155-165(152)185(146(100-126)171(140)187)163-132-67-38-34-60-116(132)86-144-160(169(191(155)175(144)163)111-55-27-20-28-56-111)118-63-42-46-105(82-118)103-182(15,16)127-98-141-138-95-124(179(7,8)9)77-80-150(138)188-153-91-121(133-70-44-71-135-134-68-39-40-72-157(134)192-176(133)135)92-156-166(153)184(147(101-127)172(141)188)161-130-65-36-32-58-114(130)84-142-158(108-49-21-17-22-50-108)167(190(156)173(142)161)109-51-23-18-24-52-109/h17-101H,102-103H2,1-16H3
• InChIKey: QCLCRQLDRHFKNW-UHFFFAOYSA-N
• XLogP: 41.14
• TPSA: 42.72 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2456.57
LogP ≤ 5	41.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 23,28-ditert-butyl-11-[3-[2-[23-tert-butyl-11-[3-[2-(23-tert-butyl-16-dibenzofuran-4-yl-11,12-diphenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl)-2-methylpropyl]phenyl]-16-naphthalen-1-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl]-2-methylpropyl]phenyl]-16-naphthalen-2-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene?

The IUPAC name of 23,28-ditert-butyl-11-[3-[2-[23-tert-butyl-11-[3-[2-(23-tert-butyl-16-dibenzofuran-4-yl-11,12-diphenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl)-2-methylpropyl]phenyl]-16-naphthalen-1-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl]-2-methylpropyl]phenyl]-16-naphthalen-2-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene (CID 174031922) is 23,28-ditert-butyl-11-[3-[2-[23-tert-butyl-11-[3-[2-(23-tert-butyl-16-dibenzofuran-4-yl-11,12-diphenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl)-2-methylpropyl]phenyl]-16-naphthalen-1-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl]-2-methylpropyl]phenyl]-16-naphthalen-2-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene.

What is the SMILES notation for 23,28-ditert-butyl-11-[3-[2-[23-tert-butyl-11-[3-[2-(23-tert-butyl-16-dibenzofuran-4-yl-11,12-diphenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl)-2-methylpropyl]phenyl]-16-naphthalen-1-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl]-2-methylpropyl]phenyl]-16-naphthalen-2-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene?

The canonical SMILES for 23,28-ditert-butyl-11-[3-[2-[23-tert-butyl-11-[3-[2-(23-tert-butyl-16-dibenzofuran-4-yl-11,12-diphenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl)-2-methylpropyl]phenyl]-16-naphthalen-1-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl]-2-methylpropyl]phenyl]-16-naphthalen-2-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c1n2-c1cc(-c2ccc4ccccc4c2)cc2c1B3c1c3ccccc3cc3c(-c4cccc(CC(C)(C)c5cc6c7c(c5)c5cc(C(C)(C)C)ccc5n7-c5cc(-c7cccc8ccccc78)cc7c5B6c5c6ccccc6cc6c(-c8cccc(CC(C)(C)c9cc%10c%11c(c9)c9cc(C(C)(C)C)ccc9n%11-c9cc(-c%11cccc%12c%11oc%11ccccc%11%12)cc%11c9B%10c9c%10ccccc%10cc%10c(-c%12ccccc%12)c(-c%12ccccc%12)n-%11c9%10)c8)c(-c8ccccc8)n-7c56)c4)c(-c4ccccc4)n-2c13.

What is the InChIKey of 23,28-ditert-butyl-11-[3-[2-[23-tert-butyl-11-[3-[2-(23-tert-butyl-16-dibenzofuran-4-yl-11,12-diphenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl)-2-methylpropyl]phenyl]-16-naphthalen-1-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl]-2-methylpropyl]phenyl]-16-naphthalen-2-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene?

The InChIKey is QCLCRQLDRHFKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C182H137B3N6O/c1-177(2,3)122-75-78-148-136(93-122)139-96-125(180(10,11)12)99-145-170(139)186(148)151-87-119(113-74-73-106-47-29-30-57-112(106)83-113)88-154-164(151)183(145)162-131-66-37-33-59-115(131)85-143-159(168(189(154)174(143)162)110-53-25-19-26-54-110)117-62-41-45-104(81-117)102-181(13,14)126-97-140-137-94-123(178(4,5)6)76-79-149(137)187-152-89-120(129-69-43-61-107-48-31-35-64-128(107)129)90-155-165(152)185(146(100-126)171(140)187)163-132-67-38-34-60-116(132)86-144-160(169(191(155)175(144)163)111-55-27-20-28-56-111)118-63-42-46-105(82-118)103-182(15,16)127-98-141-138-95-124(179(7,8)9)77-80-150(138)188-153-91-121(133-70-44-71-135-134-68-39-40-72-157(134)192-176(133)135)92-156-166(153)184(147(101-127)172(141)188)161-130-65-36-32-58-114(130)84-142-158(108-49-21-17-22-50-108)167(190(156)173(142)161)109-51-23-18-24-52-109/h17-101H,102-103H2,1-16H3.

What are the key properties of 23,28-ditert-butyl-11-[3-[2-[23-tert-butyl-11-[3-[2-(23-tert-butyl-16-dibenzofuran-4-yl-11,12-diphenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl)-2-methylpropyl]phenyl]-16-naphthalen-1-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl]-2-methylpropyl]phenyl]-16-naphthalen-2-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene?

23,28-ditert-butyl-11-[3-[2-[23-tert-butyl-11-[3-[2-(23-tert-butyl-16-dibenzofuran-4-yl-11,12-diphenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl)-2-methylpropyl]phenyl]-16-naphthalen-1-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl]-2-methylpropyl]phenyl]-16-naphthalen-2-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene has a molecular weight of 2456.57 g/mol, XLogP of 41.14, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 23,28-ditert-butyl-11-[3-[2-[23-tert-butyl-11-[3-[2-(23-tert-butyl-16-dibenzofuran-4-yl-11,12-diphenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl)-2-methylpropyl]phenyl]-16-naphthalen-1-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaen-28-yl]-2-methylpropyl]phenyl]-16-naphthalen-2-yl-12-phenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,10.119,26.03,8.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene is sourced from PubChem (CID 174031922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).