10,16,29-triphenyl-35-[4-[4-(16,36,42-triphenyl-1,10,16,36,42-pentaza-23,29-diboratridecacyclo[24.20.1.111,15.129,37.02,7.08,47.09,24.017,22.027,46.028,43.030,35.023,49.041,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34,37(48),38,40,44-henicosaen-10-yl)phenyl]phenyl]-1,10,16,29,35-pentaza-23,42-diboratridecacyclo[24.20.1.111,15.130,34.02,7.08,47.09,24.017,22.027,46.028,43.036,41.023,49.042,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34(48),36,38,40,44-henicosaene

C132H80B4N10 — CID 174044003

About 10,16,29-triphenyl-35-[4-[4-(16,36,42-triphenyl-1,10,16,36,42-pentaza-23,29-diboratridecacyclo[24.20.1.111,15.129,37.02,7.08,47.09,24.017,22.027,46.028,43.030,35.023,49.041,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34,37(48),38,40,44-henicosaen-10-yl)phenyl]phenyl]-1,10,16,29,35-pentaza-23,42-diboratridecacyclo[24.20.1.111,15.130,34.02,7.08,47.09,24.017,22.027,46.028,43.036,41.023,49.042,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34(48),36,38,40,44-henicosaene

10,16,29-triphenyl-35-[4-[4-(16,36,42-triphenyl-1,10,16,36,42-pentaza-23,29-diboratridecacyclo[24.20.1.111,15.129,37.02,7.08,47.09,24.017,22.027,46.028,43.030,35.023,49.041,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34,37(48),38,40,44-henicosaen-10-yl)phenyl]phenyl]-1,10,16,29,35-pentaza-23,42-diboratridecacyclo[24.20.1.111,15.130,34.02,7.08,47.09,24.017,22.027,46.028,43.036,41.023,49.042,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34(48),36,38,40,44-henicosaene (PubChem CID 174044003) has the molecular formula C132H80B4N10 and a molecular weight of 1849.41 g/mol. Its IUPAC name is 10,16,29-triphenyl-35-[4-[4-(16,36,42-triphenyl-1,10,16,36,42-pentaza-23,29-diboratridecacyclo[24.20.1.111,15.129,37.02,7.08,47.09,24.017,22.027,46.028,43.030,35.023,49.041,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34,37(48),38,40,44-henicosaen-10-yl)phenyl]phenyl]-1,10,16,29,35-pentaza-23,42-diboratridecacyclo[24.20.1.111,15.130,34.02,7.08,47.09,24.017,22.027,46.028,43.036,41.023,49.042,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34(48),36,38,40,44-henicosaene.

Molecular Properties

• Compound Name: 10,16,29-triphenyl-35-[4-[4-(16,36,42-triphenyl-1,10,16,36,42-pentaza-23,29-diboratridecacyclo[24.20.1.111,15.129,37.02,7.08,47.09,24.017,22.027,46.028,43.030,35.023,49.041,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34,37(48),38,40,44-henicosaen-10-yl)phenyl]phenyl]-1,10,16,29,35-pentaza-23,42-diboratridecacyclo[24.20.1.111,15.130,34.02,7.08,47.09,24.017,22.027,46.028,43.036,41.023,49.042,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34(48),36,38,40,44-henicosaene
• PubChem CID: 174044003
• Molecular Formula: C132H80B4N10
• Molecular Weight: 1849.41 g/mol
• Exact Mass: 1848.69
• IUPAC Name: 10,16,29-triphenyl-35-[4-[4-(16,36,42-triphenyl-1,10,16,36,42-pentaza-23,29-diboratridecacyclo[24.20.1.111,15.129,37.02,7.08,47.09,24.017,22.027,46.028,43.030,35.023,49.041,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34,37(48),38,40,44-henicosaen-10-yl)phenyl]phenyl]-1,10,16,29,35-pentaza-23,42-diboratridecacyclo[24.20.1.111,15.130,34.02,7.08,47.09,24.017,22.027,46.028,43.036,41.023,49.042,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34(48),36,38,40,44-henicosaene
• SMILES: c1ccc(N2c3ccccc3B3c4c2cccc4N(c2ccccc2)c2ccc4c(c23)c2cc3c(c5c6ccccc6n4c25)N(c2ccc(-c4ccc(N5c6ccccc6B6c7ccc8c(c7N(c7ccccc7)c7cccc5c76)c5cc6c(c7c9ccccc9n8c57)N(c5ccccc5)c5cccc7c5B6c5ccccc5N7c5ccccc5)cc4)cc2)c2cccc4c2B3c2ccccc2N4c2ccccc2)cc1
• InChI: InChI=1S/C132H80B4N10/c1-7-35-83(36-8-1)137-106-57-29-23-51-97(106)135-101-80-94-120-109(146-103-54-26-20-48-92(103)122(129(94)146)131(101)143(88-45-17-6-18-46-88)116-65-33-60-111(137)124(116)135)76-75-99-130(120)142(87-43-15-5-16-44-87)115-64-32-59-110-123(115)133(99)95-49-21-27-55-104(95)140(110)89-71-67-81(68-72-89)82-69-73-90(74-70-82)144-117-66-34-61-112-125(117)134(96-50-22-28-56-105(96)138(112)84-37-9-2-10-38-84)100-79-93-119-108(145-102-53-25-19-47-91(102)121(128(93)145)132(100)144)77-78-118-127(119)136-98-52-24-30-58-107(98)139(85-39-11-3-12-40-85)113-62-31-63-114(126(113)136)141(118)86-41-13-4-14-42-86/h1-80H
• InChIKey: MXCWMSFPPHYGMF-UHFFFAOYSA-N
• XLogP: 25.98
• TPSA: 34.74 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1849.41
LogP ≤ 5	25.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,16,29-triphenyl-35-[4-[4-(16,36,42-triphenyl-1,10,16,36,42-pentaza-23,29-diboratridecacyclo[24.20.1.111,15.129,37.02,7.08,47.09,24.017,22.027,46.028,43.030,35.023,49.041,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34,37(48),38,40,44-henicosaen-10-yl)phenyl]phenyl]-1,10,16,29,35-pentaza-23,42-diboratridecacyclo[24.20.1.111,15.130,34.02,7.08,47.09,24.017,22.027,46.028,43.036,41.023,49.042,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34(48),36,38,40,44-henicosaene?

The IUPAC name of 10,16,29-triphenyl-35-[4-[4-(16,36,42-triphenyl-1,10,16,36,42-pentaza-23,29-diboratridecacyclo[24.20.1.111,15.129,37.02,7.08,47.09,24.017,22.027,46.028,43.030,35.023,49.041,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34,37(48),38,40,44-henicosaen-10-yl)phenyl]phenyl]-1,10,16,29,35-pentaza-23,42-diboratridecacyclo[24.20.1.111,15.130,34.02,7.08,47.09,24.017,22.027,46.028,43.036,41.023,49.042,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34(48),36,38,40,44-henicosaene (CID 174044003) is 10,16,29-triphenyl-35-[4-[4-(16,36,42-triphenyl-1,10,16,36,42-pentaza-23,29-diboratridecacyclo[24.20.1.111,15.129,37.02,7.08,47.09,24.017,22.027,46.028,43.030,35.023,49.041,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34,37(48),38,40,44-henicosaen-10-yl)phenyl]phenyl]-1,10,16,29,35-pentaza-23,42-diboratridecacyclo[24.20.1.111,15.130,34.02,7.08,47.09,24.017,22.027,46.028,43.036,41.023,49.042,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34(48),36,38,40,44-henicosaene.

What is the SMILES notation for 10,16,29-triphenyl-35-[4-[4-(16,36,42-triphenyl-1,10,16,36,42-pentaza-23,29-diboratridecacyclo[24.20.1.111,15.129,37.02,7.08,47.09,24.017,22.027,46.028,43.030,35.023,49.041,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34,37(48),38,40,44-henicosaen-10-yl)phenyl]phenyl]-1,10,16,29,35-pentaza-23,42-diboratridecacyclo[24.20.1.111,15.130,34.02,7.08,47.09,24.017,22.027,46.028,43.036,41.023,49.042,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34(48),36,38,40,44-henicosaene?

The canonical SMILES for 10,16,29-triphenyl-35-[4-[4-(16,36,42-triphenyl-1,10,16,36,42-pentaza-23,29-diboratridecacyclo[24.20.1.111,15.129,37.02,7.08,47.09,24.017,22.027,46.028,43.030,35.023,49.041,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34,37(48),38,40,44-henicosaen-10-yl)phenyl]phenyl]-1,10,16,29,35-pentaza-23,42-diboratridecacyclo[24.20.1.111,15.130,34.02,7.08,47.09,24.017,22.027,46.028,43.036,41.023,49.042,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34(48),36,38,40,44-henicosaene is c1ccc(N2c3ccccc3B3c4c2cccc4N(c2ccccc2)c2ccc4c(c23)c2cc3c(c5c6ccccc6n4c25)N(c2ccc(-c4ccc(N5c6ccccc6B6c7ccc8c(c7N(c7ccccc7)c7cccc5c76)c5cc6c(c7c9ccccc9n8c57)N(c5ccccc5)c5cccc7c5B6c5ccccc5N7c5ccccc5)cc4)cc2)c2cccc4c2B3c2ccccc2N4c2ccccc2)cc1.

What is the InChIKey of 10,16,29-triphenyl-35-[4-[4-(16,36,42-triphenyl-1,10,16,36,42-pentaza-23,29-diboratridecacyclo[24.20.1.111,15.129,37.02,7.08,47.09,24.017,22.027,46.028,43.030,35.023,49.041,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34,37(48),38,40,44-henicosaen-10-yl)phenyl]phenyl]-1,10,16,29,35-pentaza-23,42-diboratridecacyclo[24.20.1.111,15.130,34.02,7.08,47.09,24.017,22.027,46.028,43.036,41.023,49.042,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34(48),36,38,40,44-henicosaene?

The InChIKey is MXCWMSFPPHYGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C132H80B4N10/c1-7-35-83(36-8-1)137-106-57-29-23-51-97(106)135-101-80-94-120-109(146-103-54-26-20-48-92(103)122(129(94)146)131(101)143(88-45-17-6-18-46-88)116-65-33-60-111(137)124(116)135)76-75-99-130(120)142(87-43-15-5-16-44-87)115-64-32-59-110-123(115)133(99)95-49-21-27-55-104(95)140(110)89-71-67-81(68-72-89)82-69-73-90(74-70-82)144-117-66-34-61-112-125(117)134(96-50-22-28-56-105(96)138(112)84-37-9-2-10-38-84)100-79-93-119-108(145-102-53-25-19-47-91(102)121(128(93)145)132(100)144)77-78-118-127(119)136-98-52-24-30-58-107(98)139(85-39-11-3-12-40-85)113-62-31-63-114(126(113)136)141(118)86-41-13-4-14-42-86/h1-80H.

What are the key properties of 10,16,29-triphenyl-35-[4-[4-(16,36,42-triphenyl-1,10,16,36,42-pentaza-23,29-diboratridecacyclo[24.20.1.111,15.129,37.02,7.08,47.09,24.017,22.027,46.028,43.030,35.023,49.041,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34,37(48),38,40,44-henicosaen-10-yl)phenyl]phenyl]-1,10,16,29,35-pentaza-23,42-diboratridecacyclo[24.20.1.111,15.130,34.02,7.08,47.09,24.017,22.027,46.028,43.036,41.023,49.042,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34(48),36,38,40,44-henicosaene?

10,16,29-triphenyl-35-[4-[4-(16,36,42-triphenyl-1,10,16,36,42-pentaza-23,29-diboratridecacyclo[24.20.1.111,15.129,37.02,7.08,47.09,24.017,22.027,46.028,43.030,35.023,49.041,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34,37(48),38,40,44-henicosaen-10-yl)phenyl]phenyl]-1,10,16,29,35-pentaza-23,42-diboratridecacyclo[24.20.1.111,15.130,34.02,7.08,47.09,24.017,22.027,46.028,43.036,41.023,49.042,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34(48),36,38,40,44-henicosaene has a molecular weight of 1849.41 g/mol, XLogP of 25.98, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 10,16,29-triphenyl-35-[4-[4-(16,36,42-triphenyl-1,10,16,36,42-pentaza-23,29-diboratridecacyclo[24.20.1.111,15.129,37.02,7.08,47.09,24.017,22.027,46.028,43.030,35.023,49.041,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34,37(48),38,40,44-henicosaen-10-yl)phenyl]phenyl]-1,10,16,29,35-pentaza-23,42-diboratridecacyclo[24.20.1.111,15.130,34.02,7.08,47.09,24.017,22.027,46.028,43.036,41.023,49.042,48]nonatetraconta-2,4,6,8,11,13,15(49),17,19,21,24,26(47),27(46),28(43),30,32,34(48),36,38,40,44-henicosaene is sourced from PubChem (CID 174044003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).