N,N-diphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dithia-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;N,N,10,33-tetraphenyl-4,10,27,33-tetraza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine

C252H152B8N16O4S2 — CID 157118977

About N,N-diphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dithia-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;N,N,10,33-tetraphenyl-4,10,27,33-tetraza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine

N,N-diphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dithia-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;N,N,10,33-tetraphenyl-4,10,27,33-tetraza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine (PubChem CID 157118977) has the molecular formula C252H152B8N16O4S2 and a molecular weight of 3618.73 g/mol. Its IUPAC name is N,N-diphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dithia-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;N,N,10,33-tetraphenyl-4,10,27,33-tetraza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine.

Molecular Properties

• Compound Name: N,N-diphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dithia-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;N,N,10,33-tetraphenyl-4,10,27,33-tetraza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine
• PubChem CID: 157118977
• Molecular Formula: C252H152B8N16O4S2
• Molecular Weight: 3618.73 g/mol
• Exact Mass: 3617.24
• IUPAC Name: N,N-diphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dithia-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;N,N,10,33-tetraphenyl-4,10,27,33-tetraza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine
• SMILES: c1ccc(N(c2ccccc2)c2cc3c4c(c2)-n2c5ccc6c7cccc8c7n(c6c5c5cccc(c52)B4c2ccccc2N3c2ccccc2)-c2cccc3c2B8c2ccccc2N3c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)-n2c5ccc6c7cccc8c7n(c6c5c5cccc(c52)B4c2ccccc2O3)-c2cccc3c2B8c2ccccc2O3)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2cccc4c2B3c2cccc3c5c(ccc6c7cccc8c7n(c65)-c5cccc6c5B8c5ccc(N(c7ccccc7)c7ccccc7)cc5O6)n-4c23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)Sc2cccc4c2B3c2cccc3c5c(ccc6c7cccc8c7n(c65)-c5cccc6c5B8c5ccc(N(c7ccccc7)c7ccccc7)cc5S6)n-4c23)cc1
• InChI: InChI=1S/C66H41B2N5.C66H40B2N4O2.C66H40B2N4S2.C54H31B2N3O2/c1-5-20-42(21-6-1)69(43-22-7-2-8-23-43)46-40-59-63-60(41-46)72-56-39-38-48-47-28-17-32-52-64(47)73(58-37-19-36-57-62(58)67(52)50-30-13-15-34-54(50)70(57)44-24-9-3-10-25-44)66(48)61(56)49-29-18-33-53(65(49)72)68(63)51-31-14-16-35-55(51)71(59)45-26-11-4-12-27-45;2*1-5-17-41(18-6-1)69(42-19-7-2-8-20-42)45-33-36-50-59(39-45)74-58-32-16-30-56-63(58)67(50)52-27-13-25-47-48-35-38-54-61(66(48)72(56)64(47)52)49-26-14-28-53-65(49)71(54)55-29-15-31-57-62(55)68(53)51-37-34-46(40-60(51)73-57)70(43-21-9-3-10-22-43)44-23-11-4-12-24-44;1-3-14-32(15-4-1)57(33-16-5-2-6-17-33)34-30-44-51-48(31-34)61-46-26-10-8-21-39(46)56(51)41-23-12-19-37-49-42(58(44)53(37)41)29-28-36-35-18-11-22-40-52(35)59(54(36)49)43-24-13-27-47-50(43)55(40)38-20-7-9-25-45(38)60-47/h1-41H;2*1-40H;1-31H
• InChIKey: AHSUUUWIIZETMJ-UHFFFAOYSA-N
• XLogP: 47.90
• TPSA: 102.28 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 282
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3618.73
LogP ≤ 5	47.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dithia-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;N,N,10,33-tetraphenyl-4,10,27,33-tetraza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine?

The IUPAC name of N,N-diphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dithia-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;N,N,10,33-tetraphenyl-4,10,27,33-tetraza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine (CID 157118977) is N,N-diphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dithia-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;N,N,10,33-tetraphenyl-4,10,27,33-tetraza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine.

What is the SMILES notation for N,N-diphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dithia-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;N,N,10,33-tetraphenyl-4,10,27,33-tetraza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine?

The canonical SMILES for N,N-diphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dithia-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;N,N,10,33-tetraphenyl-4,10,27,33-tetraza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine is c1ccc(N(c2ccccc2)c2cc3c4c(c2)-n2c5ccc6c7cccc8c7n(c6c5c5cccc(c52)B4c2ccccc2N3c2ccccc2)-c2cccc3c2B8c2ccccc2N3c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)-n2c5ccc6c7cccc8c7n(c6c5c5cccc(c52)B4c2ccccc2O3)-c2cccc3c2B8c2ccccc2O3)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2cccc4c2B3c2cccc3c5c(ccc6c7cccc8c7n(c65)-c5cccc6c5B8c5ccc(N(c7ccccc7)c7ccccc7)cc5O6)n-4c23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)Sc2cccc4c2B3c2cccc3c5c(ccc6c7cccc8c7n(c65)-c5cccc6c5B8c5ccc(N(c7ccccc7)c7ccccc7)cc5S6)n-4c23)cc1.

What is the InChIKey of N,N-diphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dithia-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;N,N,10,33-tetraphenyl-4,10,27,33-tetraza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine?

The InChIKey is AHSUUUWIIZETMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41B2N5.C66H40B2N4O2.C66H40B2N4S2.C54H31B2N3O2/c1-5-20-42(21-6-1)69(43-22-7-2-8-23-43)46-40-59-63-60(41-46)72-56-39-38-48-47-28-17-32-52-64(47)73(58-37-19-36-57-62(58)67(52)50-30-13-15-34-54(50)70(57)44-24-9-3-10-25-44)66(48)61(56)49-29-18-33-53(65(49)72)68(63)51-31-14-16-35-55(51)71(59)45-26-11-4-12-27-45;2*1-5-17-41(18-6-1)69(42-19-7-2-8-20-42)45-33-36-50-59(39-45)74-58-32-16-30-56-63(58)67(50)52-27-13-25-47-48-35-38-54-61(66(48)72(56)64(47)52)49-26-14-28-53-65(49)71(54)55-29-15-31-57-62(55)68(53)51-37-34-46(40-60(51)73-57)70(43-21-9-3-10-22-43)44-23-11-4-12-24-44;1-3-14-32(15-4-1)57(33-16-5-2-6-17-33)34-30-44-51-48(31-34)61-46-26-10-8-21-39(46)56(51)41-23-12-19-37-49-42(58(44)53(37)41)29-28-36-35-18-11-22-40-52(35)59(54(36)49)43-24-13-27-47-50(43)55(40)38-20-7-9-25-45(38)60-47/h1-41H;2*1-40H;1-31H.

What are the key properties of N,N-diphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dithia-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;N,N,10,33-tetraphenyl-4,10,27,33-tetraza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine?

N,N-diphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dithia-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;N,N,10,33-tetraphenyl-4,10,27,33-tetraza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine has a molecular weight of 3618.73 g/mol, XLogP of 47.90, 20 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dioxa-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;13-N,13-N,36-N,36-N-tetraphenyl-10,33-dithia-4,27-diaza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11(16),12,14,18(47),19,21,24,28(46),29,31,34(39),35,37,41(45),42-henicosaene-13,36-diamine;N,N,10,33-tetraphenyl-4,10,27,33-tetraza-17,40-diboratridecacyclo[25.17.1.14,18.15,9.128,32.02,26.03,23.011,16.034,39.041,45.017,48.022,47.040,46]octatetraconta-1(44),2(26),3(23),5(48),6,8,11,13,15,18(47),19,21,24,28(46),29,31,34,36,38,41(45),42-henicosaen-30-amine is sourced from PubChem (CID 157118977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).