7,15-bis(3,5-diphenylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;bis(9-phenyl-3-[15-(9-phenylcarbazol-3-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]carbazole);2-pyridin-2-yl-5-[15-(6-pyridin-2-yl-3-pyridinyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]pyridine;8-(15-quinolin-8-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoline;5-(15-quinoxalin-5-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoxaline

C282H170N14O6 — CID 158292742

About 7,15-bis(3,5-diphenylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;bis(9-phenyl-3-[15-(9-phenylcarbazol-3-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]carbazole);2-pyridin-2-yl-5-[15-(6-pyridin-2-yl-3-pyridinyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]pyridine;8-(15-quinolin-8-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoline;5-(15-quinoxalin-5-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoxaline

7,15-bis(3,5-diphenylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;bis(9-phenyl-3-[15-(9-phenylcarbazol-3-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]carbazole);2-pyridin-2-yl-5-[15-(6-pyridin-2-yl-3-pyridinyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]pyridine;8-(15-quinolin-8-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoline;5-(15-quinoxalin-5-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoxaline (PubChem CID 158292742) has the molecular formula C282H170N14O6 and a molecular weight of 3850.55 g/mol. Its IUPAC name is 7,15-bis(3,5-diphenylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;bis(9-phenyl-3-[15-(9-phenylcarbazol-3-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]carbazole);2-pyridin-2-yl-5-[15-(6-pyridin-2-yl-3-pyridinyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]pyridine;8-(15-quinolin-8-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoline;5-(15-quinoxalin-5-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoxaline.

Molecular Properties

• Compound Name: 7,15-bis(3,5-diphenylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;bis(9-phenyl-3-[15-(9-phenylcarbazol-3-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]carbazole);2-pyridin-2-yl-5-[15-(6-pyridin-2-yl-3-pyridinyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]pyridine;8-(15-quinolin-8-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoline;5-(15-quinoxalin-5-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoxaline
• PubChem CID: 158292742
• Molecular Formula: C282H170N14O6
• Molecular Weight: 3850.55 g/mol
• Exact Mass: 3847.34
• IUPAC Name: 7,15-bis(3,5-diphenylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;bis(9-phenyl-3-[15-(9-phenylcarbazol-3-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]carbazole);2-pyridin-2-yl-5-[15-(6-pyridin-2-yl-3-pyridinyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]pyridine;8-(15-quinolin-8-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoline;5-(15-quinoxalin-5-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoxaline
• SMILES: c1cc(-c2ccc3oc4ccc(-c5cccc6nccnc56)c5cccc(c6cccc2c36)c45)c2nccnc2c1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4oc5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6cccc(c7cccc3c47)c56)c2)cc1.c1ccc(-c2ccc(-c3ccc4oc5ccc(-c6ccc(-c7ccccn7)nc6)c6cccc(c7cccc3c47)c56)cn2)nc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7cccc(c8cccc4c58)c67)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7cccc(c8cccc4c58)c67)ccc32)cc1.c1cnc2c(-c3ccc4oc5ccc(-c6cccc7cccnc67)c6cccc(c7cccc3c47)c56)cccc2c1
• InChI: InChI=1S/2C56H34N2O.C56H36O.C40H24N4O.C38H22N2O.C36H20N4O/c2*1-3-13-37(14-4-1)57-49-23-9-7-17-41(49)47-33-35(25-29-51(47)57)39-27-31-53-55-43(39)19-11-21-45(55)46-22-12-20-44-40(28-32-54(59-53)56(44)46)36-26-30-52-48(34-36)42-18-8-10-24-50(42)58(52)38-15-5-2-6-16-38;1-5-15-37(16-6-1)41-31-42(38-17-7-2-8-18-38)34-45(33-41)47-27-29-53-55-49(47)23-13-25-51(55)52-26-14-24-50-48(28-30-54(57-53)56(50)52)46-35-43(39-19-9-3-10-20-39)32-44(36-46)40-21-11-4-12-22-40;1-3-21-41-33(11-1)35-17-13-25(23-43-35)27-15-19-37-39-29(27)7-5-9-31(39)32-10-6-8-30-28(16-20-38(45-37)40(30)32)26-14-18-36(44-24-26)34-12-2-4-22-42-34;1-7-23-9-5-21-39-37(23)31(15-1)25-17-19-33-35-27(25)11-3-13-29(35)30-14-4-12-28-26(18-20-34(41-33)36(28)30)32-16-2-8-24-10-6-22-40-38(24)32;1-5-23-21(27-9-3-11-29-35(27)39-19-17-37-29)13-15-31-33(23)25(7-1)26-8-2-6-24-22(14-16-32(41-31)34(24)26)28-10-4-12-30-36(28)40-20-18-38-30/h2*1-34H;1-36H;1-24H;1-22H;1-20H
• InChIKey: GLOAUHKPHKXDQU-UHFFFAOYSA-N
• XLogP: 76.31
• TPSA: 227.46 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 302
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3850.55
LogP ≤ 5	76.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 7,15-bis(3,5-diphenylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;bis(9-phenyl-3-[15-(9-phenylcarbazol-3-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]carbazole);2-pyridin-2-yl-5-[15-(6-pyridin-2-yl-3-pyridinyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]pyridine;8-(15-quinolin-8-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoline;5-(15-quinoxalin-5-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoxaline?

The IUPAC name of 7,15-bis(3,5-diphenylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;bis(9-phenyl-3-[15-(9-phenylcarbazol-3-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]carbazole);2-pyridin-2-yl-5-[15-(6-pyridin-2-yl-3-pyridinyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]pyridine;8-(15-quinolin-8-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoline;5-(15-quinoxalin-5-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoxaline (CID 158292742) is 7,15-bis(3,5-diphenylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;bis(9-phenyl-3-[15-(9-phenylcarbazol-3-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]carbazole);2-pyridin-2-yl-5-[15-(6-pyridin-2-yl-3-pyridinyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]pyridine;8-(15-quinolin-8-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoline;5-(15-quinoxalin-5-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoxaline.

What is the SMILES notation for 7,15-bis(3,5-diphenylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;bis(9-phenyl-3-[15-(9-phenylcarbazol-3-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]carbazole);2-pyridin-2-yl-5-[15-(6-pyridin-2-yl-3-pyridinyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]pyridine;8-(15-quinolin-8-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoline;5-(15-quinoxalin-5-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoxaline?

The canonical SMILES for 7,15-bis(3,5-diphenylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;bis(9-phenyl-3-[15-(9-phenylcarbazol-3-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]carbazole);2-pyridin-2-yl-5-[15-(6-pyridin-2-yl-3-pyridinyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]pyridine;8-(15-quinolin-8-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoline;5-(15-quinoxalin-5-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoxaline is c1cc(-c2ccc3oc4ccc(-c5cccc6nccnc56)c5cccc(c6cccc2c36)c45)c2nccnc2c1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4oc5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6cccc(c7cccc3c47)c56)c2)cc1.c1ccc(-c2ccc(-c3ccc4oc5ccc(-c6ccc(-c7ccccn7)nc6)c6cccc(c7cccc3c47)c56)cn2)nc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7cccc(c8cccc4c58)c67)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7cccc(c8cccc4c58)c67)ccc32)cc1.c1cnc2c(-c3ccc4oc5ccc(-c6cccc7cccnc67)c6cccc(c7cccc3c47)c56)cccc2c1.

What is the InChIKey of 7,15-bis(3,5-diphenylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;bis(9-phenyl-3-[15-(9-phenylcarbazol-3-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]carbazole);2-pyridin-2-yl-5-[15-(6-pyridin-2-yl-3-pyridinyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]pyridine;8-(15-quinolin-8-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoline;5-(15-quinoxalin-5-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoxaline?

The InChIKey is GLOAUHKPHKXDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H34N2O.C56H36O.C40H24N4O.C38H22N2O.C36H20N4O/c2*1-3-13-37(14-4-1)57-49-23-9-7-17-41(49)47-33-35(25-29-51(47)57)39-27-31-53-55-43(39)19-11-21-45(55)46-22-12-20-44-40(28-32-54(59-53)56(44)46)36-26-30-52-48(34-36)42-18-8-10-24-50(42)58(52)38-15-5-2-6-16-38;1-5-15-37(16-6-1)41-31-42(38-17-7-2-8-18-38)34-45(33-41)47-27-29-53-55-49(47)23-13-25-51(55)52-26-14-24-50-48(28-30-54(57-53)56(50)52)46-35-43(39-19-9-3-10-20-39)32-44(36-46)40-21-11-4-12-22-40;1-3-21-41-33(11-1)35-17-13-25(23-43-35)27-15-19-37-39-29(27)7-5-9-31(39)32-10-6-8-30-28(16-20-38(45-37)40(30)32)26-14-18-36(44-24-26)34-12-2-4-22-42-34;1-7-23-9-5-21-39-37(23)31(15-1)25-17-19-33-35-27(25)11-3-13-29(35)30-14-4-12-28-26(18-20-34(41-33)36(28)30)32-16-2-8-24-10-6-22-40-38(24)32;1-5-23-21(27-9-3-11-29-35(27)39-19-17-37-29)13-15-31-33(23)25(7-1)26-8-2-6-24-22(14-16-32(41-31)34(24)26)28-10-4-12-30-36(28)40-20-18-38-30/h2*1-34H;1-36H;1-24H;1-22H;1-20H.

What are the key properties of 7,15-bis(3,5-diphenylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;bis(9-phenyl-3-[15-(9-phenylcarbazol-3-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]carbazole);2-pyridin-2-yl-5-[15-(6-pyridin-2-yl-3-pyridinyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]pyridine;8-(15-quinolin-8-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoline;5-(15-quinoxalin-5-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoxaline?

7,15-bis(3,5-diphenylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;bis(9-phenyl-3-[15-(9-phenylcarbazol-3-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]carbazole);2-pyridin-2-yl-5-[15-(6-pyridin-2-yl-3-pyridinyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]pyridine;8-(15-quinolin-8-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoline;5-(15-quinoxalin-5-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoxaline has a molecular weight of 3850.55 g/mol, XLogP of 76.31, 22 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 7,15-bis(3,5-diphenylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;bis(9-phenyl-3-[15-(9-phenylcarbazol-3-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]carbazole);2-pyridin-2-yl-5-[15-(6-pyridin-2-yl-3-pyridinyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]pyridine;8-(15-quinolin-8-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoline;5-(15-quinoxalin-5-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)quinoxaline is sourced from PubChem (CID 158292742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).