5-(4-benzo[a]carbazol-11-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[b]carbazol-5-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene

C336H198N16O11S — CID 165085119

About 5-(4-benzo[a]carbazol-11-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[b]carbazol-5-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene

5-(4-benzo[a]carbazol-11-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[b]carbazol-5-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene (PubChem CID 165085119) has the molecular formula C336H198N16O11S and a molecular weight of 4675.50 g/mol. Its IUPAC name is 5-(4-benzo[a]carbazol-11-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[b]carbazol-5-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene.

Molecular Properties

• Compound Name: 5-(4-benzo[a]carbazol-11-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[b]carbazol-5-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
• PubChem CID: 165085119
• Molecular Formula: C336H198N16O11S
• Molecular Weight: 4675.50 g/mol
• Exact Mass: 4671.56
• IUPAC Name: 5-(4-benzo[a]carbazol-11-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[b]carbazol-5-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc(-c2ccc3c(c2)c2cccc4c2n3-c2ccccc2O4)cc1.c1ccc2c(c1)Oc1cccc3c4cc(-c5ccc(-n6c7ccccc7c7c8ccccc8ccc76)cc5)ccc4n-2c13.c1ccc2c(c1)Oc1cccc3c4cc(-c5ccc(-n6c7ccccc7c7c8oc9ccccc9c8ccc76)cc5)ccc4n-2c13.c1ccc2c(c1)Oc1cccc3c4cc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)oc8ccccc89)ccc76)cc5)ccc4n-2c13.c1ccc2c(c1)Oc1cccc3c4cc(-c5ccc(-n6c7ccccc7c7cc(-c8cccc9c8sc8ccccc89)ccc76)cc5)ccc4n-2c13.c1ccc2c(c1)Oc1cccc3c4cc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5)ccc4n-2c13.c1ccc2c(c1)Oc1cccc3c4cc(-c5ccc(-n6c7ccccc7c7ccc8ccccc8c76)cc5)ccc4n-2c13.c1ccc2c(c1)Oc1cccc3c4cc(-c5ccc(-n6c7ccccc7c7ccc8oc9ccccc9c8c76)cc5)ccc4n-2c13
• InChI: InChI=1S/C48H28N2O2.C48H28N2OS.2C42H24N2O2.3C40H24N2O.C36H22N2O/c1-3-11-40-34(8-1)38-27-31(32-18-23-36-35-9-2-5-13-44(35)51-47(36)28-32)20-24-41(38)49(40)33-21-16-29(17-22-33)30-19-25-42-39(26-30)37-10-7-15-46-48(37)50(42)43-12-4-6-14-45(43)52-46;1-3-14-40-34(9-1)38-28-31(33-11-7-13-37-35-10-2-6-18-46(35)52-48(33)37)22-26-41(38)49(40)32-23-19-29(20-24-32)30-21-25-42-39(27-30)36-12-8-17-45-47(36)50(42)43-15-4-5-16-44(43)51-45;1-3-11-33-31(9-1)40-36(23-21-30-28-8-2-5-13-37(28)46-42(30)40)43(33)27-19-16-25(17-20-27)26-18-22-34-32(24-26)29-10-7-15-39-41(29)44(34)35-12-4-6-14-38(35)45-39;1-3-11-33-28(8-1)30-21-23-38-40(31-9-2-5-13-36(31)45-38)42(30)43(33)27-19-16-25(17-20-27)26-18-22-34-32(24-26)29-10-7-15-39-41(29)44(34)35-12-4-6-14-37(35)46-39;1-2-9-29-26(8-1)18-23-36-39(29)31-10-3-4-12-33(31)41(36)28-20-16-25(17-21-28)27-19-22-34-32(24-27)30-11-7-15-38-40(30)42(34)35-13-5-6-14-37(35)43-38;1-2-9-29-26(8-1)18-22-32-30-10-3-4-12-34(30)41(39(29)32)28-20-16-25(17-21-28)27-19-23-35-33(24-27)31-11-7-15-38-40(31)42(35)36-13-5-6-14-37(36)43-38;1-2-9-27-24-37-32(22-26(27)8-1)30-10-3-4-12-34(30)41(37)29-19-16-25(17-20-29)28-18-21-35-33(23-28)31-11-7-15-39-40(31)42(35)36-13-5-6-14-38(36)43-39;1-3-11-30-26(8-1)27-9-2-4-12-31(27)37(30)25-19-16-23(17-20-25)24-18-21-32-29(22-24)28-10-7-15-35-36(28)38(32)33-13-5-6-14-34(33)39-35/h2*1-28H;2*1-24H;3*1-24H;1-22H/i;;;;;;;1D,2D,3D,4D,8D,9D,11D,12D
• InChIKey: VTUNJUFRZAHNCF-CPTRFLGXSA-N
• XLogP: 92.09
• TPSA: 192.14 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 364
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4675.50
LogP ≤ 5	92.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzo[a]carbazol-11-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[b]carbazol-5-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?

The IUPAC name of 5-(4-benzo[a]carbazol-11-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[b]carbazol-5-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene (CID 165085119) is 5-(4-benzo[a]carbazol-11-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[b]carbazol-5-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene.

What is the SMILES notation for 5-(4-benzo[a]carbazol-11-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[b]carbazol-5-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?

The canonical SMILES for 5-(4-benzo[a]carbazol-11-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[b]carbazol-5-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc(-c2ccc3c(c2)c2cccc4c2n3-c2ccccc2O4)cc1.c1ccc2c(c1)Oc1cccc3c4cc(-c5ccc(-n6c7ccccc7c7c8ccccc8ccc76)cc5)ccc4n-2c13.c1ccc2c(c1)Oc1cccc3c4cc(-c5ccc(-n6c7ccccc7c7c8oc9ccccc9c8ccc76)cc5)ccc4n-2c13.c1ccc2c(c1)Oc1cccc3c4cc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)oc8ccccc89)ccc76)cc5)ccc4n-2c13.c1ccc2c(c1)Oc1cccc3c4cc(-c5ccc(-n6c7ccccc7c7cc(-c8cccc9c8sc8ccccc89)ccc76)cc5)ccc4n-2c13.c1ccc2c(c1)Oc1cccc3c4cc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5)ccc4n-2c13.c1ccc2c(c1)Oc1cccc3c4cc(-c5ccc(-n6c7ccccc7c7ccc8ccccc8c76)cc5)ccc4n-2c13.c1ccc2c(c1)Oc1cccc3c4cc(-c5ccc(-n6c7ccccc7c7ccc8oc9ccccc9c8c76)cc5)ccc4n-2c13.

What is the InChIKey of 5-(4-benzo[a]carbazol-11-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[b]carbazol-5-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?

The InChIKey is VTUNJUFRZAHNCF-CPTRFLGXSA-N. The full InChI is InChI=1S/C48H28N2O2.C48H28N2OS.2C42H24N2O2.3C40H24N2O.C36H22N2O/c1-3-11-40-34(8-1)38-27-31(32-18-23-36-35-9-2-5-13-44(35)51-47(36)28-32)20-24-41(38)49(40)33-21-16-29(17-22-33)30-19-25-42-39(26-30)37-10-7-15-46-48(37)50(42)43-12-4-6-14-45(43)52-46;1-3-14-40-34(9-1)38-28-31(33-11-7-13-37-35-10-2-6-18-46(35)52-48(33)37)22-26-41(38)49(40)32-23-19-29(20-24-32)30-21-25-42-39(27-30)36-12-8-17-45-47(36)50(42)43-15-4-5-16-44(43)51-45;1-3-11-33-31(9-1)40-36(23-21-30-28-8-2-5-13-37(28)46-42(30)40)43(33)27-19-16-25(17-20-27)26-18-22-34-32(24-26)29-10-7-15-39-41(29)44(34)35-12-4-6-14-38(35)45-39;1-3-11-33-28(8-1)30-21-23-38-40(31-9-2-5-13-36(31)45-38)42(30)43(33)27-19-16-25(17-20-27)26-18-22-34-32(24-26)29-10-7-15-39-41(29)44(34)35-12-4-6-14-37(35)46-39;1-2-9-29-26(8-1)18-23-36-39(29)31-10-3-4-12-33(31)41(36)28-20-16-25(17-21-28)27-19-22-34-32(24-27)30-11-7-15-38-40(30)42(34)35-13-5-6-14-37(35)43-38;1-2-9-29-26(8-1)18-22-32-30-10-3-4-12-34(30)41(39(29)32)28-20-16-25(17-21-28)27-19-23-35-33(24-27)31-11-7-15-38-40(31)42(35)36-13-5-6-14-37(36)43-38;1-2-9-27-24-37-32(22-26(27)8-1)30-10-3-4-12-34(30)41(37)29-19-16-25(17-20-29)28-18-21-35-33(23-28)31-11-7-15-39-40(31)42(35)36-13-5-6-14-38(36)43-39;1-3-11-30-26(8-1)27-9-2-4-12-31(27)37(30)25-19-16-23(17-20-25)24-18-21-32-29(22-24)28-10-7-15-35-36(28)38(32)33-13-5-6-14-34(33)39-35/h2*1-28H;2*1-24H;3*1-24H;1-22H/i;;;;;;;1D,2D,3D,4D,8D,9D,11D,12D.

What are the key properties of 5-(4-benzo[a]carbazol-11-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[b]carbazol-5-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?

5-(4-benzo[a]carbazol-11-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[b]carbazol-5-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene has a molecular weight of 4675.50 g/mol, XLogP of 92.09, 18 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-benzo[a]carbazol-11-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[b]carbazol-5-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 165085119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).