7,17-di(phenanthren-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;3-[17-(6,9-diphenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole;7,17-di(triphenylen-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole

C220H128N4O8 — CID 159138174

About 7,17-di(phenanthren-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;3-[17-(6,9-diphenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole;7,17-di(triphenylen-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole

7,17-di(phenanthren-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;3-[17-(6,9-diphenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole;7,17-di(triphenylen-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole (PubChem CID 159138174) has the molecular formula C220H128N4O8 and a molecular weight of 2955.46 g/mol. Its IUPAC name is 7,17-di(phenanthren-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;3-[17-(6,9-diphenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole;7,17-di(triphenylen-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole.

Molecular Properties

• Compound Name: 7,17-di(phenanthren-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;3-[17-(6,9-diphenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole;7,17-di(triphenylen-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole
• PubChem CID: 159138174
• Molecular Formula: C220H128N4O8
• Molecular Weight: 2955.46 g/mol
• Exact Mass: 2952.97
• IUPAC Name: 7,17-di(phenanthren-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;3-[17-(6,9-diphenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole;7,17-di(triphenylen-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)oc4cc6c(cc45)oc4cc(-c5ccc7c(c5)c5cc(-c8ccccc8)ccc5n7-c5ccccc5)ccc46)ccc2n3-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)oc4cc6c(cc45)oc4cc(-c5ccc7c(c5)c5ccccc5n7-c5ccccc5)ccc46)ccc32)cc1.c1ccc2c(c1)c1ccccc1c1cc(-c3ccc4c(c3)oc3cc5c(cc34)oc3cc(-c4ccc6c7ccccc7c7ccccc7c6c4)ccc35)ccc21.c1ccc2c(c1)cc(-c1ccc3c(c1)oc1cc4c(cc13)oc1cc(-c3cc5ccccc5c5ccccc35)ccc14)c1ccccc12
• InChI: InChI=1S/C66H40N2O2.C54H32N2O2.C54H30O2.C46H26O2/c1-5-13-41(14-6-1)43-23-29-59-53(33-43)55-35-45(25-31-61(55)67(59)49-17-9-3-10-18-49)47-21-27-51-57-39-66-58(40-65(57)69-63(51)37-47)52-28-22-48(38-64(52)70-66)46-26-32-62-56(36-46)54-34-44(42-15-7-2-8-16-42)24-30-60(54)68(62)50-19-11-4-12-20-50;1-3-11-37(12-4-1)55-47-17-9-7-15-39(47)43-27-33(21-25-49(43)55)35-19-23-41-45-31-54-46(32-53(45)57-51(41)29-35)42-24-20-36(30-52(42)58-54)34-22-26-50-44(28-34)40-16-8-10-18-48(40)56(50)38-13-5-2-6-14-38;1-3-13-39-35(9-1)37-11-5-7-15-41(37)47-25-31(17-21-43(39)47)33-19-23-45-49-29-54-50(30-53(49)55-51(45)27-33)46-24-20-34(28-52(46)56-54)32-18-22-44-40-14-4-2-10-36(40)38-12-6-8-16-42(38)48(44)26-32;1-3-11-31-27(9-1)21-39(35-15-7-5-13-33(31)35)29-17-19-37-41-25-46-42(26-45(41)47-43(37)23-29)38-20-18-30(24-44(38)48-46)40-22-28-10-2-4-12-32(28)34-14-6-8-16-36(34)40/h1-40H;1-32H;1-30H;1-26H
• InChIKey: KHTKYJWCGOWPDO-UHFFFAOYSA-N
• XLogP: 62.53
• TPSA: 124.84 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2955.46
LogP ≤ 5	62.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,17-di(phenanthren-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;3-[17-(6,9-diphenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole;7,17-di(triphenylen-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole?

The IUPAC name of 7,17-di(phenanthren-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;3-[17-(6,9-diphenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole;7,17-di(triphenylen-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole (CID 159138174) is 7,17-di(phenanthren-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;3-[17-(6,9-diphenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole;7,17-di(triphenylen-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole.

What is the SMILES notation for 7,17-di(phenanthren-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;3-[17-(6,9-diphenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole;7,17-di(triphenylen-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole?

The canonical SMILES for 7,17-di(phenanthren-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;3-[17-(6,9-diphenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole;7,17-di(triphenylen-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)oc4cc6c(cc45)oc4cc(-c5ccc7c(c5)c5cc(-c8ccccc8)ccc5n7-c5ccccc5)ccc46)ccc2n3-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)oc4cc6c(cc45)oc4cc(-c5ccc7c(c5)c5ccccc5n7-c5ccccc5)ccc46)ccc32)cc1.c1ccc2c(c1)c1ccccc1c1cc(-c3ccc4c(c3)oc3cc5c(cc34)oc3cc(-c4ccc6c7ccccc7c7ccccc7c6c4)ccc35)ccc21.c1ccc2c(c1)cc(-c1ccc3c(c1)oc1cc4c(cc13)oc1cc(-c3cc5ccccc5c5ccccc35)ccc14)c1ccccc12.

What is the InChIKey of 7,17-di(phenanthren-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;3-[17-(6,9-diphenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole;7,17-di(triphenylen-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole?

The InChIKey is KHTKYJWCGOWPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N2O2.C54H32N2O2.C54H30O2.C46H26O2/c1-5-13-41(14-6-1)43-23-29-59-53(33-43)55-35-45(25-31-61(55)67(59)49-17-9-3-10-18-49)47-21-27-51-57-39-66-58(40-65(57)69-63(51)37-47)52-28-22-48(38-64(52)70-66)46-26-32-62-56(36-46)54-34-44(42-15-7-2-8-16-42)24-30-60(54)68(62)50-19-11-4-12-20-50;1-3-11-37(12-4-1)55-47-17-9-7-15-39(47)43-27-33(21-25-49(43)55)35-19-23-41-45-31-54-46(32-53(45)57-51(41)29-35)42-24-20-36(30-52(42)58-54)34-22-26-50-44(28-34)40-16-8-10-18-48(40)56(50)38-13-5-2-6-14-38;1-3-13-39-35(9-1)37-11-5-7-15-41(37)47-25-31(17-21-43(39)47)33-19-23-45-49-29-54-50(30-53(49)55-51(45)27-33)46-24-20-34(28-52(46)56-54)32-18-22-44-40-14-4-2-10-36(40)38-12-6-8-16-42(38)48(44)26-32;1-3-11-31-27(9-1)21-39(35-15-7-5-13-33(31)35)29-17-19-37-41-25-46-42(26-45(41)47-43(37)23-29)38-20-18-30(24-44(38)48-46)40-22-28-10-2-4-12-32(28)34-14-6-8-16-36(34)40/h1-40H;1-32H;1-30H;1-26H.

What are the key properties of 7,17-di(phenanthren-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;3-[17-(6,9-diphenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole;7,17-di(triphenylen-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole?

7,17-di(phenanthren-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;3-[17-(6,9-diphenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole;7,17-di(triphenylen-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole has a molecular weight of 2955.46 g/mol, XLogP of 62.53, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7,17-di(phenanthren-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;3-[17-(6,9-diphenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole;7,17-di(triphenylen-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole is sourced from PubChem (CID 159138174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).