13-[3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;4-[3-(4-cyanophenyl)-5-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;10-[2-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]-4-pyridinyl]phenoxazine;10-[3-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;13-[4-(3,5-difluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane

C314H191BF12N26O4 — CID 159729089

About 13-[3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;4-[3-(4-cyanophenyl)-5-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;10-[2-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]-4-pyridinyl]phenoxazine;10-[3-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;13-[4-(3,5-difluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane

13-[3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;4-[3-(4-cyanophenyl)-5-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;10-[2-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]-4-pyridinyl]phenoxazine;10-[3-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;13-[4-(3,5-difluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane (PubChem CID 159729089) has the molecular formula C314H191BF12N26O4 and a molecular weight of 4630.95 g/mol. Its IUPAC name is 13-[3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;4-[3-(4-cyanophenyl)-5-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;10-[2-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]-4-pyridinyl]phenoxazine;10-[3-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;13-[4-(3,5-difluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane.

Molecular Properties

• Compound Name: 13-[3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;4-[3-(4-cyanophenyl)-5-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;10-[2-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]-4-pyridinyl]phenoxazine;10-[3-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;13-[4-(3,5-difluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
• PubChem CID: 159729089
• Molecular Formula: C314H191BF12N26O4
• Molecular Weight: 4630.95 g/mol
• Exact Mass: 4627.54
• IUPAC Name: 13-[3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;4-[3-(4-cyanophenyl)-5-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;10-[2-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]-4-pyridinyl]phenoxazine;10-[3-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;13-[4-(3,5-difluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
• SMILES: Cc1cc(C)c(B(c2ccc(-c3ccc4c(c3)Oc3cccc5c6ccccc6n-4c35)cc2)c2c(C)cc(C)cc2C)c(C)c1.Fc1c(F)c(F)c(-c2cc(-c3c(F)c(F)c(F)c(F)c3F)cc(N3c4ccccc4-n4c5ccccc5c5cccc3c54)c2)c(F)c1F.Fc1cc(F)cc(-c2ccc(N3c4ccccc4-n4c5ccccc5c5cccc3c54)cc2)c1.N#Cc1ccc(-c2cc(-c3ccc(C#N)cc3)cc(-c3ccc4c(c3)N(c3ccccc3)c3cccc5c6ccccc6n-4c35)c2)cc1.N#Cc1ccc(-c2cc(-c3ccc(C#N)cc3)cc(-c3ccc4c(c3)Oc3cccc5c6ccccc6n-4c35)c2)cc1.N#Cc1ccc(-c2cc(-c3ccc(C#N)cc3)cc(N3c4ccccc4-n4c5ccccc5c5cccc3c54)c2)cc1.c1cc(-c2cc(N3c4ccccc4Oc4ccccc43)ccn2)cc(N2c3ccccc3-n3c4ccccc4c4cccc2c43)c1.c1ccc(-c2nc(-c3cccc(N4c5ccccc5Oc5ccccc54)c3)nc(N3c4ccccc4-n4c5ccccc5c5cccc3c54)n2)cc1
• InChI: InChI=1S/C45H28N6O.C44H26N4.C42H36BNO.C41H26N4O.C38H22N4.C38H21N3O.C36H14F10N2.C30H18F2N2/c1-2-14-29(15-3-1)43-46-44(30-16-12-17-31(28-30)49-37-23-8-10-26-40(37)52-41-27-11-9-24-38(41)49)48-45(47-43)51-36-22-7-6-21-35(36)50-34-20-5-4-18-32(34)33-19-13-25-39(51)42(33)50;45-27-29-13-17-31(18-14-29)34-23-35(32-19-15-30(28-46)16-20-32)25-36(24-34)33-21-22-41-43(26-33)47(37-7-2-1-3-8-37)42-12-6-10-39-38-9-4-5-11-40(38)48(41)44(39)42;1-25-20-27(3)40(28(4)21-25)43(41-29(5)22-26(2)23-30(41)6)33-17-14-31(15-18-33)32-16-19-37-39(24-32)45-38-13-9-11-35-34-10-7-8-12-36(34)44(37)42(35)38;1-2-15-33-30(13-1)31-14-10-20-38-41(31)45(33)35-17-4-3-16-34(35)43(38)28-12-9-11-27(25-28)32-26-29(23-24-42-32)44-36-18-5-7-21-39(36)46-40-22-8-6-19-37(40)44;39-23-25-12-16-27(17-13-25)29-20-30(28-18-14-26(24-40)15-19-28)22-31(21-29)41-35-9-3-4-10-36(35)42-34-8-2-1-6-32(34)33-7-5-11-37(41)38(33)42;39-22-24-8-12-26(13-9-24)29-18-30(27-14-10-25(23-40)11-15-27)20-31(19-29)28-16-17-35-37(21-28)42-36-7-3-5-33-32-4-1-2-6-34(32)41(35)38(33)36;37-26-24(27(38)31(42)34(45)30(26)41)15-12-16(25-28(39)32(43)35(46)33(44)29(25)40)14-17(13-15)47-21-9-3-4-10-22(21)48-20-8-2-1-6-18(20)19-7-5-11-23(47)36(19)48;31-21-16-20(17-22(32)18-21)19-12-14-23(15-13-19)33-27-9-3-4-10-28(27)34-26-8-2-1-6-24(26)25-7-5-11-29(33)30(25)34/h1-28H;1-26H;7-24H,1-6H3;1-26H;1-22H;1-21H;1-14H;1-18H
• InChIKey: NAZWJZGYOYVKQI-UHFFFAOYSA-N
• XLogP: 82.18
• TPSA: 296.58 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 357
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4630.95
LogP ≤ 5	82.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 13-[3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;4-[3-(4-cyanophenyl)-5-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;10-[2-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]-4-pyridinyl]phenoxazine;10-[3-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;13-[4-(3,5-difluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane?

The IUPAC name of 13-[3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;4-[3-(4-cyanophenyl)-5-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;10-[2-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]-4-pyridinyl]phenoxazine;10-[3-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;13-[4-(3,5-difluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane (CID 159729089) is 13-[3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;4-[3-(4-cyanophenyl)-5-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;10-[2-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]-4-pyridinyl]phenoxazine;10-[3-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;13-[4-(3,5-difluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane.

What is the SMILES notation for 13-[3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;4-[3-(4-cyanophenyl)-5-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;10-[2-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]-4-pyridinyl]phenoxazine;10-[3-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;13-[4-(3,5-difluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane?

The canonical SMILES for 13-[3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;4-[3-(4-cyanophenyl)-5-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;10-[2-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]-4-pyridinyl]phenoxazine;10-[3-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;13-[4-(3,5-difluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane is Cc1cc(C)c(B(c2ccc(-c3ccc4c(c3)Oc3cccc5c6ccccc6n-4c35)cc2)c2c(C)cc(C)cc2C)c(C)c1.Fc1c(F)c(F)c(-c2cc(-c3c(F)c(F)c(F)c(F)c3F)cc(N3c4ccccc4-n4c5ccccc5c5cccc3c54)c2)c(F)c1F.Fc1cc(F)cc(-c2ccc(N3c4ccccc4-n4c5ccccc5c5cccc3c54)cc2)c1.N#Cc1ccc(-c2cc(-c3ccc(C#N)cc3)cc(-c3ccc4c(c3)N(c3ccccc3)c3cccc5c6ccccc6n-4c35)c2)cc1.N#Cc1ccc(-c2cc(-c3ccc(C#N)cc3)cc(-c3ccc4c(c3)Oc3cccc5c6ccccc6n-4c35)c2)cc1.N#Cc1ccc(-c2cc(-c3ccc(C#N)cc3)cc(N3c4ccccc4-n4c5ccccc5c5cccc3c54)c2)cc1.c1cc(-c2cc(N3c4ccccc4Oc4ccccc43)ccn2)cc(N2c3ccccc3-n3c4ccccc4c4cccc2c43)c1.c1ccc(-c2nc(-c3cccc(N4c5ccccc5Oc5ccccc54)c3)nc(N3c4ccccc4-n4c5ccccc5c5cccc3c54)n2)cc1.

What is the InChIKey of 13-[3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;4-[3-(4-cyanophenyl)-5-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;10-[2-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]-4-pyridinyl]phenoxazine;10-[3-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;13-[4-(3,5-difluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane?

The InChIKey is NAZWJZGYOYVKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N6O.C44H26N4.C42H36BNO.C41H26N4O.C38H22N4.C38H21N3O.C36H14F10N2.C30H18F2N2/c1-2-14-29(15-3-1)43-46-44(30-16-12-17-31(28-30)49-37-23-8-10-26-40(37)52-41-27-11-9-24-38(41)49)48-45(47-43)51-36-22-7-6-21-35(36)50-34-20-5-4-18-32(34)33-19-13-25-39(51)42(33)50;45-27-29-13-17-31(18-14-29)34-23-35(32-19-15-30(28-46)16-20-32)25-36(24-34)33-21-22-41-43(26-33)47(37-7-2-1-3-8-37)42-12-6-10-39-38-9-4-5-11-40(38)48(41)44(39)42;1-25-20-27(3)40(28(4)21-25)43(41-29(5)22-26(2)23-30(41)6)33-17-14-31(15-18-33)32-16-19-37-39(24-32)45-38-13-9-11-35-34-10-7-8-12-36(34)44(37)42(35)38;1-2-15-33-30(13-1)31-14-10-20-38-41(31)45(33)35-17-4-3-16-34(35)43(38)28-12-9-11-27(25-28)32-26-29(23-24-42-32)44-36-18-5-7-21-39(36)46-40-22-8-6-19-37(40)44;39-23-25-12-16-27(17-13-25)29-20-30(28-18-14-26(24-40)15-19-28)22-31(21-29)41-35-9-3-4-10-36(35)42-34-8-2-1-6-32(34)33-7-5-11-37(41)38(33)42;39-22-24-8-12-26(13-9-24)29-18-30(27-14-10-25(23-40)11-15-27)20-31(19-29)28-16-17-35-37(21-28)42-36-7-3-5-33-32-4-1-2-6-34(32)41(35)38(33)36;37-26-24(27(38)31(42)34(45)30(26)41)15-12-16(25-28(39)32(43)35(46)33(44)29(25)40)14-17(13-15)47-21-9-3-4-10-22(21)48-20-8-2-1-6-18(20)19-7-5-11-23(47)36(19)48;31-21-16-20(17-22(32)18-21)19-12-14-23(15-13-19)33-27-9-3-4-10-28(27)34-26-8-2-1-6-24(26)25-7-5-11-29(33)30(25)34/h1-28H;1-26H;7-24H,1-6H3;1-26H;1-22H;1-21H;1-14H;1-18H.

What are the key properties of 13-[3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;4-[3-(4-cyanophenyl)-5-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;10-[2-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]-4-pyridinyl]phenoxazine;10-[3-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;13-[4-(3,5-difluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane?

13-[3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;4-[3-(4-cyanophenyl)-5-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;10-[2-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]-4-pyridinyl]phenoxazine;10-[3-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;13-[4-(3,5-difluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane has a molecular weight of 4630.95 g/mol, XLogP of 82.18, 26 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 13-[3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;4-[3-(4-cyanophenyl)-5-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;4-[3-(4-cyanophenyl)-5-(13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]benzonitrile;10-[2-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]-4-pyridinyl]phenoxazine;10-[3-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;13-[4-(3,5-difluorophenyl)phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane is sourced from PubChem (CID 159729089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).