3-[5-(3-dibenzofuran-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-9-phenylcarbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl]carbazole

C162H95N5O7 — CID 161111078

About 3-[5-(3-dibenzofuran-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-9-phenylcarbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl]carbazole

3-[5-(3-dibenzofuran-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-9-phenylcarbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl]carbazole (PubChem CID 161111078) has the molecular formula C162H95N5O7 and a molecular weight of 2223.57 g/mol. Its IUPAC name is 3-[5-(3-dibenzofuran-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-9-phenylcarbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl]carbazole.

Molecular Properties

• Compound Name: 3-[5-(3-dibenzofuran-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-9-phenylcarbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl]carbazole
• PubChem CID: 161111078
• Molecular Formula: C162H95N5O7
• Molecular Weight: 2223.57 g/mol
• Exact Mass: 2221.72
• IUPAC Name: 3-[5-(3-dibenzofuran-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-9-phenylcarbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5oc6c(ccc7oc8ccccc8c76)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5oc6cc7oc8ccccc8c7cc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(ccc7oc8ccc(-c9cccc(-c%10ccc%11oc%12ccccc%12c%11c%10)c9)cc8c76)c5c4)ccc32)cc1
• InChI: InChI=1S/2C54H32N2O2.C54H31NO3/c1-3-13-36(14-4-1)55-46-20-10-7-17-38(46)43-29-33(23-26-48(43)55)35-31-42(53-45(32-35)40-25-28-51-52(54(40)58-53)41-19-9-12-22-50(41)57-51)34-24-27-49-44(30-34)39-18-8-11-21-47(39)56(49)37-15-5-2-6-16-37;1-3-13-36(14-4-1)55-47-20-10-7-17-38(47)42-27-33(23-25-49(42)55)35-29-41(54-46(30-35)45-31-44-40-19-9-12-22-51(40)57-52(44)32-53(45)58-54)34-24-26-50-43(28-34)39-18-8-11-21-48(39)56(50)37-15-5-2-6-16-37;1-2-11-38(12-3-1)55-46-15-6-4-13-39(46)42-28-34(17-22-47(42)55)36-19-24-50-44(30-36)41-21-26-52-53(54(41)58-50)45-31-37(20-25-51(45)57-52)33-10-8-9-32(27-33)35-18-23-49-43(29-35)40-14-5-7-16-48(40)56-49/h2*1-32H;1-31H
• InChIKey: UJRUGUXNWISCEP-UHFFFAOYSA-N
• XLogP: 45.51
• TPSA: 116.63 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2223.57
LogP ≤ 5	45.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-dibenzofuran-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-9-phenylcarbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl]carbazole?

The IUPAC name of 3-[5-(3-dibenzofuran-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-9-phenylcarbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl]carbazole (CID 161111078) is 3-[5-(3-dibenzofuran-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-9-phenylcarbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl]carbazole.

What is the SMILES notation for 3-[5-(3-dibenzofuran-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-9-phenylcarbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl]carbazole?

The canonical SMILES for 3-[5-(3-dibenzofuran-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-9-phenylcarbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5oc6c(ccc7oc8ccccc8c76)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5oc6cc7oc8ccccc8c7cc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(ccc7oc8ccc(-c9cccc(-c%10ccc%11oc%12ccccc%12c%11c%10)c9)cc8c76)c5c4)ccc32)cc1.

What is the InChIKey of 3-[5-(3-dibenzofuran-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-9-phenylcarbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl]carbazole?

The InChIKey is UJRUGUXNWISCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H32N2O2.C54H31NO3/c1-3-13-36(14-4-1)55-46-20-10-7-17-38(46)43-29-33(23-26-48(43)55)35-31-42(53-45(32-35)40-25-28-51-52(54(40)58-53)41-19-9-12-22-50(41)57-51)34-24-27-49-44(30-34)39-18-8-11-21-47(39)56(49)37-15-5-2-6-16-37;1-3-13-36(14-4-1)55-47-20-10-7-17-38(47)42-27-33(23-25-49(42)55)35-29-41(54-46(30-35)45-31-44-40-19-9-12-22-51(40)57-52(44)32-53(45)58-54)34-24-26-50-43(28-34)39-18-8-11-21-48(39)56(50)37-15-5-2-6-16-37;1-2-11-38(12-3-1)55-46-15-6-4-13-39(46)42-28-34(17-22-47(42)55)36-19-24-50-44(30-36)41-21-26-52-53(54(41)58-50)45-31-37(20-25-51(45)57-52)33-10-8-9-32(27-33)35-18-23-49-43(29-35)40-14-5-7-16-48(40)56-49/h2*1-32H;1-31H.

What are the key properties of 3-[5-(3-dibenzofuran-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-9-phenylcarbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl]carbazole?

3-[5-(3-dibenzofuran-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-9-phenylcarbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl]carbazole has a molecular weight of 2223.57 g/mol, XLogP of 45.51, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(3-dibenzofuran-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-9-phenylcarbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl]carbazole is sourced from PubChem (CID 161111078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).