3-(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;3-(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;3-[4-(3-dibenzofuran-2-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;3-[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;3-[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

C224H132N10O7S — CID 165091709

About 3-(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;3-(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;3-[4-(3-dibenzofuran-2-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;3-[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;3-[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

3-(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;3-(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;3-[4-(3-dibenzofuran-2-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;3-[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;3-[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 (PubChem CID 165091709) has the molecular formula C224H132N10O7S and a molecular weight of 3107.65 g/mol. Its IUPAC name is 3-(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;3-(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;3-[4-(3-dibenzofuran-2-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;3-[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;3-[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.

Molecular Properties

• Compound Name: 3-(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;3-(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;3-[4-(3-dibenzofuran-2-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;3-[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;3-[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
• PubChem CID: 165091709
• Molecular Formula: C224H132N10O7S
• Molecular Weight: 3107.65 g/mol
• Exact Mass: 3105.00
• IUPAC Name: 3-(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;3-(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;3-[4-(3-dibenzofuran-2-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;3-[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;3-[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
• SMILES: c1ccc2c(c1)Oc1cccc3c4cccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)oc8ccccc89)ccc76)cc5)c4n-2c13.c1ccc2c(c1)Oc1cccc3c4cccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9oc%10ccccc%10c9c8)ccc76)cc5)c4n-2c13.c1ccc2c(c1)Oc1cccc3c4cccc(-c5ccc(-n6c7ccccc7c7cc(-c8cccc9c8sc8ccccc89)ccc76)cc5)c4n-2c13.c1ccc2c(c1)Oc1cccc3c4cccc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5)c4n-2c13.c1ccc2c(c1)Oc1cccc3c4cccc(-c5ccc(-n6c7ccccc7c7ccc8ccccc8c76)cc5)c4n-2c13
• InChI: InChI=1S/2C48H28N2O2.C48H28N2OS.2C40H24N2O/c1-3-14-40-34(9-1)39-27-30(31-21-25-36-35-10-2-5-16-43(35)51-46(36)28-31)22-26-41(39)49(40)32-23-19-29(20-24-32)33-11-7-12-37-38-13-8-18-45-48(38)50(47(33)37)42-15-4-6-17-44(42)52-45;1-3-14-40-34(9-1)38-27-30(31-22-26-44-39(28-31)35-10-2-5-16-43(35)51-44)21-25-41(38)49(40)32-23-19-29(20-24-32)33-11-7-12-36-37-13-8-18-46-48(37)50(47(33)36)42-15-4-6-17-45(42)52-46;1-3-17-40-34(10-1)39-28-30(33-13-8-16-38-35-11-2-6-21-45(35)52-48(33)38)24-27-41(39)49(40)31-25-22-29(23-26-31)32-12-7-14-36-37-15-9-20-44-47(37)50(46(32)36)42-18-4-5-19-43(42)51-44;1-2-10-28-25(9-1)21-24-33-30-11-3-4-15-34(30)41(38(28)33)27-22-19-26(20-23-27)29-12-7-13-31-32-14-8-18-37-40(32)42(39(29)31)35-16-5-6-17-36(35)43-37;1-2-10-27-24-36-33(23-26(27)9-1)30-11-3-4-15-34(30)41(36)28-21-19-25(20-22-28)29-12-7-13-31-32-14-8-18-38-40(32)42(39(29)31)35-16-5-6-17-37(35)43-38/h3*1-28H;2*1-24H
• InChIKey: WUXQFAUWUZAOBQ-UHFFFAOYSA-N
• XLogP: 61.74
• TPSA: 121.73 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3107.65
LogP ≤ 5	61.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 3-(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;3-(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;3-[4-(3-dibenzofuran-2-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;3-[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;3-[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?

The IUPAC name of 3-(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;3-(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;3-[4-(3-dibenzofuran-2-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;3-[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;3-[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 (CID 165091709) is 3-(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;3-(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;3-[4-(3-dibenzofuran-2-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;3-[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;3-[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.

What is the SMILES notation for 3-(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;3-(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;3-[4-(3-dibenzofuran-2-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;3-[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;3-[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?

The canonical SMILES for 3-(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;3-(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;3-[4-(3-dibenzofuran-2-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;3-[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;3-[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 is c1ccc2c(c1)Oc1cccc3c4cccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)oc8ccccc89)ccc76)cc5)c4n-2c13.c1ccc2c(c1)Oc1cccc3c4cccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9oc%10ccccc%10c9c8)ccc76)cc5)c4n-2c13.c1ccc2c(c1)Oc1cccc3c4cccc(-c5ccc(-n6c7ccccc7c7cc(-c8cccc9c8sc8ccccc89)ccc76)cc5)c4n-2c13.c1ccc2c(c1)Oc1cccc3c4cccc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5)c4n-2c13.c1ccc2c(c1)Oc1cccc3c4cccc(-c5ccc(-n6c7ccccc7c7ccc8ccccc8c76)cc5)c4n-2c13.

What is the InChIKey of 3-(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;3-(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;3-[4-(3-dibenzofuran-2-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;3-[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;3-[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?

The InChIKey is WUXQFAUWUZAOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H28N2O2.C48H28N2OS.2C40H24N2O/c1-3-14-40-34(9-1)39-27-30(31-21-25-36-35-10-2-5-16-43(35)51-46(36)28-31)22-26-41(39)49(40)32-23-19-29(20-24-32)33-11-7-12-37-38-13-8-18-45-48(38)50(47(33)37)42-15-4-6-17-44(42)52-45;1-3-14-40-34(9-1)38-27-30(31-22-26-44-39(28-31)35-10-2-5-16-43(35)51-44)21-25-41(38)49(40)32-23-19-29(20-24-32)33-11-7-12-36-37-13-8-18-46-48(37)50(47(33)36)42-15-4-6-17-45(42)52-46;1-3-17-40-34(10-1)39-28-30(33-13-8-16-38-35-11-2-6-21-45(35)52-48(33)38)24-27-41(39)49(40)31-25-22-29(23-26-31)32-12-7-14-36-37-15-9-20-44-47(37)50(46(32)36)42-18-4-5-19-43(42)51-44;1-2-10-28-25(9-1)21-24-33-30-11-3-4-15-34(30)41(38(28)33)27-22-19-26(20-23-27)29-12-7-13-31-32-14-8-18-37-40(32)42(39(29)31)35-16-5-6-17-36(35)43-37;1-2-10-27-24-36-33(23-26(27)9-1)30-11-3-4-15-34(30)41(36)28-21-19-25(20-22-28)29-12-7-13-31-32-14-8-18-38-40(32)42(39(29)31)35-16-5-6-17-37(35)43-38/h3*1-28H;2*1-24H.

What are the key properties of 3-(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;3-(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;3-[4-(3-dibenzofuran-2-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;3-[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;3-[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?

3-(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;3-(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;3-[4-(3-dibenzofuran-2-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;3-[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;3-[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 has a molecular weight of 3107.65 g/mol, XLogP of 61.74, 13 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(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;3-(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;3-[4-(3-dibenzofuran-2-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;3-[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;3-[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 is sourced from PubChem (CID 165091709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).