10,19,30,34-tetraphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28(33),29,31,35,37,39(41)-octadecaene;10,19,37-triphenyl-41-oxa-1,10,19,37-tetraza-27-boratridecacyclo[24.20.1.127,42.02,21.03,11.04,9.012,20.013,18.022,47.028,40.030,38.031,36.046,48]octatetraconta-2,4,6,8,11,13,15,17,20,22,24,26(47),28,30(38),31,33,35,39,42,44,46(48)-henicosaene;10,19,34-triphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28,30,32,35,37,39(41)-octadecaene

C174H105B3N12O — CID 158133797

About 10,19,30,34-tetraphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28(33),29,31,35,37,39(41)-octadecaene;10,19,37-triphenyl-41-oxa-1,10,19,37-tetraza-27-boratridecacyclo[24.20.1.127,42.02,21.03,11.04,9.012,20.013,18.022,47.028,40.030,38.031,36.046,48]octatetraconta-2,4,6,8,11,13,15,17,20,22,24,26(47),28,30(38),31,33,35,39,42,44,46(48)-henicosaene;10,19,34-triphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28,30,32,35,37,39(41)-octadecaene

10,19,30,34-tetraphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28(33),29,31,35,37,39(41)-octadecaene;10,19,37-triphenyl-41-oxa-1,10,19,37-tetraza-27-boratridecacyclo[24.20.1.127,42.02,21.03,11.04,9.012,20.013,18.022,47.028,40.030,38.031,36.046,48]octatetraconta-2,4,6,8,11,13,15,17,20,22,24,26(47),28,30(38),31,33,35,39,42,44,46(48)-henicosaene;10,19,34-triphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28,30,32,35,37,39(41)-octadecaene (PubChem CID 158133797) has the molecular formula C174H105B3N12O and a molecular weight of 2412.27 g/mol. Its IUPAC name is 10,19,30,34-tetraphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28(33),29,31,35,37,39(41)-octadecaene;10,19,37-triphenyl-41-oxa-1,10,19,37-tetraza-27-boratridecacyclo[24.20.1.127,42.02,21.03,11.04,9.012,20.013,18.022,47.028,40.030,38.031,36.046,48]octatetraconta-2,4,6,8,11,13,15,17,20,22,24,26(47),28,30(38),31,33,35,39,42,44,46(48)-henicosaene;10,19,34-triphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28,30,32,35,37,39(41)-octadecaene.

Molecular Properties

• Compound Name: 10,19,30,34-tetraphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28(33),29,31,35,37,39(41)-octadecaene;10,19,37-triphenyl-41-oxa-1,10,19,37-tetraza-27-boratridecacyclo[24.20.1.127,42.02,21.03,11.04,9.012,20.013,18.022,47.028,40.030,38.031,36.046,48]octatetraconta-2,4,6,8,11,13,15,17,20,22,24,26(47),28,30(38),31,33,35,39,42,44,46(48)-henicosaene;10,19,34-triphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28,30,32,35,37,39(41)-octadecaene
• PubChem CID: 158133797
• Molecular Formula: C174H105B3N12O
• Molecular Weight: 2412.27 g/mol
• Exact Mass: 2410.88
• IUPAC Name: 10,19,30,34-tetraphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28(33),29,31,35,37,39(41)-octadecaene;10,19,37-triphenyl-41-oxa-1,10,19,37-tetraza-27-boratridecacyclo[24.20.1.127,42.02,21.03,11.04,9.012,20.013,18.022,47.028,40.030,38.031,36.046,48]octatetraconta-2,4,6,8,11,13,15,17,20,22,24,26(47),28,30(38),31,33,35,39,42,44,46(48)-henicosaene;10,19,34-triphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28,30,32,35,37,39(41)-octadecaene
• SMILES: c1ccc(-c2ccc3c(c2)B2c4c(cccc4-n4c5c2cccc5c2c5c(c6ccccc6n5-c5ccccc5)c5c(c6ccccc6n5-c5ccccc5)c24)N3c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)Oc2cccc3c2B4c2cccc4c5c6c(c7ccccc7n6-c6ccccc6)c6c(c7ccccc7n6-c6ccccc6)c5n-3c24)cc1.c1ccc(N2c3ccccc3B3c4c2cccc4-n2c4c3cccc4c3c4c(c5ccccc5n4-c4ccccc4)c4c(c5ccccc5n4-c4ccccc4)c32)cc1
• InChI: InChI=1S/C60H35BN4O.C60H37BN4.C54H33BN4/c1-4-18-36(19-5-1)62-46-29-13-10-24-39(46)43-34-45-52(35-50(43)62)66-51-33-17-32-49-56(51)61(45)44-28-16-27-42-55-59-53(40-25-11-14-30-47(40)64(59)38-22-8-3-9-23-38)58-54(60(55)65(49)57(42)44)41-26-12-15-31-48(41)63(58)37-20-6-2-7-21-37;1-5-19-38(20-6-1)39-35-36-50-47(37-39)61-46-30-17-29-45-55-59-53(43-27-13-15-31-48(43)64(59)42-25-11-4-12-26-42)58-54(44-28-14-16-32-49(44)63(58)41-23-9-3-10-24-41)60(55)65(57(45)46)52-34-18-33-51(56(52)61)62(50)40-21-7-2-8-22-40;1-4-18-34(19-5-1)56-44-31-15-12-27-40(44)55-41-28-16-26-39-49-53-47(37-24-10-13-29-42(37)58(53)36-22-8-3-9-23-36)52-48(54(49)59(51(39)41)46-33-17-32-45(56)50(46)55)38-25-11-14-30-43(38)57(52)35-20-6-2-7-21-35/h1-35H;1-37H;1-33H
• InChIKey: FTCDTWZONNOUEY-UHFFFAOYSA-N
• XLogP: 37.86
• TPSA: 65.01 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2412.27
LogP ≤ 5	37.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,19,30,34-tetraphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28(33),29,31,35,37,39(41)-octadecaene;10,19,37-triphenyl-41-oxa-1,10,19,37-tetraza-27-boratridecacyclo[24.20.1.127,42.02,21.03,11.04,9.012,20.013,18.022,47.028,40.030,38.031,36.046,48]octatetraconta-2,4,6,8,11,13,15,17,20,22,24,26(47),28,30(38),31,33,35,39,42,44,46(48)-henicosaene;10,19,34-triphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28,30,32,35,37,39(41)-octadecaene?

The IUPAC name of 10,19,30,34-tetraphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28(33),29,31,35,37,39(41)-octadecaene;10,19,37-triphenyl-41-oxa-1,10,19,37-tetraza-27-boratridecacyclo[24.20.1.127,42.02,21.03,11.04,9.012,20.013,18.022,47.028,40.030,38.031,36.046,48]octatetraconta-2,4,6,8,11,13,15,17,20,22,24,26(47),28,30(38),31,33,35,39,42,44,46(48)-henicosaene;10,19,34-triphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28,30,32,35,37,39(41)-octadecaene (CID 158133797) is 10,19,30,34-tetraphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28(33),29,31,35,37,39(41)-octadecaene;10,19,37-triphenyl-41-oxa-1,10,19,37-tetraza-27-boratridecacyclo[24.20.1.127,42.02,21.03,11.04,9.012,20.013,18.022,47.028,40.030,38.031,36.046,48]octatetraconta-2,4,6,8,11,13,15,17,20,22,24,26(47),28,30(38),31,33,35,39,42,44,46(48)-henicosaene;10,19,34-triphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28,30,32,35,37,39(41)-octadecaene.

What is the SMILES notation for 10,19,30,34-tetraphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28(33),29,31,35,37,39(41)-octadecaene;10,19,37-triphenyl-41-oxa-1,10,19,37-tetraza-27-boratridecacyclo[24.20.1.127,42.02,21.03,11.04,9.012,20.013,18.022,47.028,40.030,38.031,36.046,48]octatetraconta-2,4,6,8,11,13,15,17,20,22,24,26(47),28,30(38),31,33,35,39,42,44,46(48)-henicosaene;10,19,34-triphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28,30,32,35,37,39(41)-octadecaene?

The canonical SMILES for 10,19,30,34-tetraphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28(33),29,31,35,37,39(41)-octadecaene;10,19,37-triphenyl-41-oxa-1,10,19,37-tetraza-27-boratridecacyclo[24.20.1.127,42.02,21.03,11.04,9.012,20.013,18.022,47.028,40.030,38.031,36.046,48]octatetraconta-2,4,6,8,11,13,15,17,20,22,24,26(47),28,30(38),31,33,35,39,42,44,46(48)-henicosaene;10,19,34-triphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28,30,32,35,37,39(41)-octadecaene is c1ccc(-c2ccc3c(c2)B2c4c(cccc4-n4c5c2cccc5c2c5c(c6ccccc6n5-c5ccccc5)c5c(c6ccccc6n5-c5ccccc5)c24)N3c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)Oc2cccc3c2B4c2cccc4c5c6c(c7ccccc7n6-c6ccccc6)c6c(c7ccccc7n6-c6ccccc6)c5n-3c24)cc1.c1ccc(N2c3ccccc3B3c4c2cccc4-n2c4c3cccc4c3c4c(c5ccccc5n4-c4ccccc4)c4c(c5ccccc5n4-c4ccccc4)c32)cc1.

What is the InChIKey of 10,19,30,34-tetraphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28(33),29,31,35,37,39(41)-octadecaene;10,19,37-triphenyl-41-oxa-1,10,19,37-tetraza-27-boratridecacyclo[24.20.1.127,42.02,21.03,11.04,9.012,20.013,18.022,47.028,40.030,38.031,36.046,48]octatetraconta-2,4,6,8,11,13,15,17,20,22,24,26(47),28,30(38),31,33,35,39,42,44,46(48)-henicosaene;10,19,34-triphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28,30,32,35,37,39(41)-octadecaene?

The InChIKey is FTCDTWZONNOUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35BN4O.C60H37BN4.C54H33BN4/c1-4-18-36(19-5-1)62-46-29-13-10-24-39(46)43-34-45-52(35-50(43)62)66-51-33-17-32-49-56(51)61(45)44-28-16-27-42-55-59-53(40-25-11-14-30-47(40)64(59)38-22-8-3-9-23-38)58-54(60(55)65(49)57(42)44)41-26-12-15-31-48(41)63(58)37-20-6-2-7-21-37;1-5-19-38(20-6-1)39-35-36-50-47(37-39)61-46-30-17-29-45-55-59-53(43-27-13-15-31-48(43)64(59)42-25-11-4-12-26-42)58-54(44-28-14-16-32-49(44)63(58)41-23-9-3-10-24-41)60(55)65(57(45)46)52-34-18-33-51(56(52)61)62(50)40-21-7-2-8-22-40;1-4-18-34(19-5-1)56-44-31-15-12-27-40(44)55-41-28-16-26-39-49-53-47(37-24-10-13-29-42(37)58(53)36-22-8-3-9-23-36)52-48(54(49)59(51(39)41)46-33-17-32-45(56)50(46)55)38-25-11-14-30-43(38)57(52)35-20-6-2-7-21-35/h1-35H;1-37H;1-33H.

What are the key properties of 10,19,30,34-tetraphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28(33),29,31,35,37,39(41)-octadecaene;10,19,37-triphenyl-41-oxa-1,10,19,37-tetraza-27-boratridecacyclo[24.20.1.127,42.02,21.03,11.04,9.012,20.013,18.022,47.028,40.030,38.031,36.046,48]octatetraconta-2,4,6,8,11,13,15,17,20,22,24,26(47),28,30(38),31,33,35,39,42,44,46(48)-henicosaene;10,19,34-triphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28,30,32,35,37,39(41)-octadecaene?

10,19,30,34-tetraphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28(33),29,31,35,37,39(41)-octadecaene;10,19,37-triphenyl-41-oxa-1,10,19,37-tetraza-27-boratridecacyclo[24.20.1.127,42.02,21.03,11.04,9.012,20.013,18.022,47.028,40.030,38.031,36.046,48]octatetraconta-2,4,6,8,11,13,15,17,20,22,24,26(47),28,30(38),31,33,35,39,42,44,46(48)-henicosaene;10,19,34-triphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28,30,32,35,37,39(41)-octadecaene has a molecular weight of 2412.27 g/mol, XLogP of 37.86, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 10,19,30,34-tetraphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28(33),29,31,35,37,39(41)-octadecaene;10,19,37-triphenyl-41-oxa-1,10,19,37-tetraza-27-boratridecacyclo[24.20.1.127,42.02,21.03,11.04,9.012,20.013,18.022,47.028,40.030,38.031,36.046,48]octatetraconta-2,4,6,8,11,13,15,17,20,22,24,26(47),28,30(38),31,33,35,39,42,44,46(48)-henicosaene;10,19,34-triphenyl-1,10,19,34-tetraza-27-boraundecacyclo[20.17.1.127,35.02,21.03,11.04,9.012,20.013,18.026,40.028,33.039,41]hentetraconta-2,4,6,8,11,13,15,17,20,22,24,26(40),28,30,32,35,37,39(41)-octadecaene is sourced from PubChem (CID 158133797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).