6,18-bis(7-naphthalen-2-ylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(3-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(4-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(chrysen-5-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(fluoranthen-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(3-phenanthren-9-ylphenyl)-18-(6-phenylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene

C364H210O14 — CID 158602274

IUPAC6,18-bis(7-naphthalen-2-ylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(3-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(4-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(chrysen-5-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(fluoranthen-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(3-phenanthren-9-ylphenyl)-18-(6-phenylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2ccc3oc4cc5oc6ccc(-c7cccc(-c8ccc9ccccc9c8)c7)cc6c5cc4c3c2)c1.c1cc(-c2ccc3oc4cc5oc6ccc(-c7ccc8ccccc8c7)cc6c5cc4c3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2ccc3cc(-c4ccc5oc6cc7oc8ccc(-c9cccc(-c%10cc%11ccccc%11c%11ccccc%10%11)c9)cc8c7cc6c5c4)ccc3c2)cc1.c1ccc2c(c1)-c1cccc3c(-c4ccc5oc6cc7oc8ccc(-c9ccc%10c%11c(cccc9%11)-c9ccccc9-%10)cc8c7cc6c5c4)ccc-2c13.c1ccc2c(c1)cc(-c1ccc3oc4cc5oc6ccc(-c7cc8ccccc8c8ccc9ccccc9c78)cc6c5cc4c3c1)c1c3ccccc3ccc21.c1ccc2cc(-c3ccc(-c4ccc5oc6cc7oc8ccc(-c9ccc(-c%10ccc%11ccccc%11c%10)cc9)cc8c7cc6c5c4)cc3)ccc2c1.c1ccc2cc(-c3ccc4ccc(-c5ccc6oc7cc8oc9ccc(-c%10ccc%11ccc(-c%12ccc%13ccccc%13c%12)cc%11c%10)cc9c8cc7c6c5)cc4c3)ccc2c1
InChIInChI=1S/C58H34O2.C54H30O2.C54H32O2.C50H26O2.2C50H30O2.C48H28O2/c1-3-7-39-25-41(15-9-35(39)5-1)43-17-11-37-13-19-45(29-49(37)27-43)47-21-23-55-51(31-47)53-33-54-52-32-48(22-24-56(52)60-58(54)34-57(53)59-55)46-20-14-38-12-18-44(28-50(38)30-46)42-16-10-36-6-2-4-8-40(36)26-42;1-7-15-39-31(9-1)17-21-41-37-13-5-3-11-33(37)25-43(53(39)41)35-19-23-49-45(27-35)47-29-48-46-28-36(20-24-50(46)56-52(48)30-51(47)55-49)44-26-34-12-4-6-14-38(34)42-22-18-32-10-2-8-16-40(32)54(42)44;1-2-9-33(10-3-1)35-17-18-37-26-38(20-19-36(37)25-35)40-22-24-52-48(29-40)50-31-49-47-28-39(21-23-51(47)55-53(49)32-54(50)56-52)34-12-8-13-41(27-34)46-30-42-11-4-5-14-43(42)44-15-6-7-16-45(44)46;1-3-9-33-31(7-1)37-13-5-11-35-29(17-19-39(33)49(35)37)27-15-21-45-41(23-27)43-25-44-42-24-28(16-22-46(42)52-48(44)26-47(43)51-45)30-18-20-40-34-10-4-2-8-32(34)38-14-6-12-36(30)50(38)40;1-3-9-33-23-39(17-15-31(33)7-1)35-11-5-13-37(25-35)41-19-21-47-43(27-41)45-29-46-44-28-42(20-22-48(44)52-50(46)30-49(45)51-47)38-14-6-12-36(26-38)40-18-16-32-8-2-4-10-34(32)24-40;1-3-7-37-25-39(19-17-31(37)5-1)33-9-13-35(14-10-33)41-21-23-47-43(27-41)45-29-46-44-28-42(22-24-48(44)52-50(46)30-49(45)51-47)36-15-11-34(12-16-36)40-20-18-32-6-2-4-8-38(32)26-40;1-2-9-30-22-32(17-16-29(30)8-1)34-19-21-46-42(25-34)44-27-43-41-24-33(18-20-45(41)49-47(43)28-48(44)50-46)31-11-7-12-35(23-31)40-26-36-10-3-4-13-37(36)38-14-5-6-15-39(38)40/h1-34H;1-30H;1-32H;1-26H;2*1-30H;1-28H
InChIKeyHVUBLQRRNBDLJL-UHFFFAOYSA-N
MW4807.67 g/mol
LogP105.40
Rot. Bonds23

About 6,18-bis(7-naphthalen-2-ylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(3-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(4-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(chrysen-5-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(fluoranthen-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(3-phenanthren-9-ylphenyl)-18-(6-phenylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene

6,18-bis(7-naphthalen-2-ylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(3-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(4-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(chrysen-5-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(fluoranthen-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(3-phenanthren-9-ylphenyl)-18-(6-phenylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene (PubChem CID 158602274) has the molecular formula C364H210O14 and a molecular weight of 4807.67 g/mol. Its IUPAC name is 6,18-bis(7-naphthalen-2-ylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(3-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(4-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(chrysen-5-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(fluoranthen-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(3-phenanthren-9-ylphenyl)-18-(6-phenylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name6,18-bis(7-naphthalen-2-ylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(3-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(4-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(chrysen-5-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(fluoranthen-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(3-phenanthren-9-ylphenyl)-18-(6-phenylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
PubChem CID158602274
Molecular FormulaC364H210O14
Molecular Weight4807.67 g/mol
Exact Mass4803.57
IUPAC Name6,18-bis(7-naphthalen-2-ylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(3-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(4-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(chrysen-5-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(fluoranthen-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(3-phenanthren-9-ylphenyl)-18-(6-phenylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2ccc3oc4cc5oc6ccc(-c7cccc(-c8ccc9ccccc9c8)c7)cc6c5cc4c3c2)c1.c1cc(-c2ccc3oc4cc5oc6ccc(-c7ccc8ccccc8c7)cc6c5cc4c3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2ccc3cc(-c4ccc5oc6cc7oc8ccc(-c9cccc(-c%10cc%11ccccc%11c%11ccccc%10%11)c9)cc8c7cc6c5c4)ccc3c2)cc1.c1ccc2c(c1)-c1cccc3c(-c4ccc5oc6cc7oc8ccc(-c9ccc%10c%11c(cccc9%11)-c9ccccc9-%10)cc8c7cc6c5c4)ccc-2c13.c1ccc2c(c1)cc(-c1ccc3oc4cc5oc6ccc(-c7cc8ccccc8c8ccc9ccccc9c78)cc6c5cc4c3c1)c1c3ccccc3ccc21.c1ccc2cc(-c3ccc(-c4ccc5oc6cc7oc8ccc(-c9ccc(-c%10ccc%11ccccc%11c%10)cc9)cc8c7cc6c5c4)cc3)ccc2c1.c1ccc2cc(-c3ccc4ccc(-c5ccc6oc7cc8oc9ccc(-c%10ccc%11ccc(-c%12ccc%13ccccc%13c%12)cc%11c%10)cc9c8cc7c6c5)cc4c3)ccc2c1
InChIInChI=1S/C58H34O2.C54H30O2.C54H32O2.C50H26O2.2C50H30O2.C48H28O2/c1-3-7-39-25-41(15-9-35(39)5-1)43-17-11-37-13-19-45(29-49(37)27-43)47-21-23-55-51(31-47)53-33-54-52-32-48(22-24-56(52)60-58(54)34-57(53)59-55)46-20-14-38-12-18-44(28-50(38)30-46)42-16-10-36-6-2-4-8-40(36)26-42;1-7-15-39-31(9-1)17-21-41-37-13-5-3-11-33(37)25-43(53(39)41)35-19-23-49-45(27-35)47-29-48-46-28-36(20-24-50(46)56-52(48)30-51(47)55-49)44-26-34-12-4-6-14-38(34)42-22-18-32-10-2-8-16-40(32)54(42)44;1-2-9-33(10-3-1)35-17-18-37-26-38(20-19-36(37)25-35)40-22-24-52-48(29-40)50-31-49-47-28-39(21-23-51(47)55-53(49)32-54(50)56-52)34-12-8-13-41(27-34)46-30-42-11-4-5-14-43(42)44-15-6-7-16-45(44)46;1-3-9-33-31(7-1)37-13-5-11-35-29(17-19-39(33)49(35)37)27-15-21-45-41(23-27)43-25-44-42-24-28(16-22-46(42)52-48(44)26-47(43)51-45)30-18-20-40-34-10-4-2-8-32(34)38-14-6-12-36(30)50(38)40;1-3-9-33-23-39(17-15-31(33)7-1)35-11-5-13-37(25-35)41-19-21-47-43(27-41)45-29-46-44-28-42(20-22-48(44)52-50(46)30-49(45)51-47)38-14-6-12-36(26-38)40-18-16-32-8-2-4-10-34(32)24-40;1-3-7-37-25-39(19-17-31(37)5-1)33-9-13-35(14-10-33)41-21-23-47-43(27-41)45-29-46-44-28-42(22-24-48(44)52-50(46)30-49(45)51-47)36-15-11-34(12-16-36)40-20-18-32-6-2-4-8-38(32)26-40;1-2-9-30-22-32(17-16-29(30)8-1)34-19-21-46-42(25-34)44-27-43-41-24-33(18-20-45(41)49-47(43)28-48(44)50-46)31-11-7-12-35(23-31)40-26-36-10-3-4-13-37(36)38-14-5-6-15-39(38)40/h1-34H;1-30H;1-32H;1-26H;2*1-30H;1-28H
InChIKeyHVUBLQRRNBDLJL-UHFFFAOYSA-N
XLogP105.40
TPSA183.96 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds23
Heavy Atoms378
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004807.67
LogP ≤ 5105.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 6,18-bis(7-naphthalen-2-ylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(3-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(4-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(chrysen-5-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(fluoranthen-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(3-phenanthren-9-ylphenyl)-18-(6-phenylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene with MolForge

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What is the IUPAC name of 6,18-bis(7-naphthalen-2-ylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(3-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(4-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(chrysen-5-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(fluoranthen-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(3-phenanthren-9-ylphenyl)-18-(6-phenylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene?
The IUPAC name of 6,18-bis(7-naphthalen-2-ylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(3-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(4-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(chrysen-5-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(fluoranthen-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(3-phenanthren-9-ylphenyl)-18-(6-phenylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene (CID 158602274) is 6,18-bis(7-naphthalen-2-ylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(3-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(4-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(chrysen-5-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(fluoranthen-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(3-phenanthren-9-ylphenyl)-18-(6-phenylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene.
What is the SMILES notation for 6,18-bis(7-naphthalen-2-ylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(3-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(4-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(chrysen-5-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(fluoranthen-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(3-phenanthren-9-ylphenyl)-18-(6-phenylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene?
The canonical SMILES for 6,18-bis(7-naphthalen-2-ylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(3-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(4-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(chrysen-5-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(fluoranthen-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(3-phenanthren-9-ylphenyl)-18-(6-phenylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene is c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3oc4cc5oc6ccc(-c7cccc(-c8ccc9ccccc9c8)c7)cc6c5cc4c3c2)c1.c1cc(-c2ccc3oc4cc5oc6ccc(-c7ccc8ccccc8c7)cc6c5cc4c3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2ccc3cc(-c4ccc5oc6cc7oc8ccc(-c9cccc(-c%10cc%11ccccc%11c%11ccccc%10%11)c9)cc8c7cc6c5c4)ccc3c2)cc1.c1ccc2c(c1)-c1cccc3c(-c4ccc5oc6cc7oc8ccc(-c9ccc%10c%11c(cccc9%11)-c9ccccc9-%10)cc8c7cc6c5c4)ccc-2c13.c1ccc2c(c1)cc(-c1ccc3oc4cc5oc6ccc(-c7cc8ccccc8c8ccc9ccccc9c78)cc6c5cc4c3c1)c1c3ccccc3ccc21.c1ccc2cc(-c3ccc(-c4ccc5oc6cc7oc8ccc(-c9ccc(-c%10ccc%11ccccc%11c%10)cc9)cc8c7cc6c5c4)cc3)ccc2c1.c1ccc2cc(-c3ccc4ccc(-c5ccc6oc7cc8oc9ccc(-c%10ccc%11ccc(-c%12ccc%13ccccc%13c%12)cc%11c%10)cc9c8cc7c6c5)cc4c3)ccc2c1.
What is the InChIKey of 6,18-bis(7-naphthalen-2-ylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(3-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(4-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(chrysen-5-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(fluoranthen-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(3-phenanthren-9-ylphenyl)-18-(6-phenylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene?
The InChIKey is HVUBLQRRNBDLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34O2.C54H30O2.C54H32O2.C50H26O2.2C50H30O2.C48H28O2/c1-3-7-39-25-41(15-9-35(39)5-1)43-17-11-37-13-19-45(29-49(37)27-43)47-21-23-55-51(31-47)53-33-54-52-32-48(22-24-56(52)60-58(54)34-57(53)59-55)46-20-14-38-12-18-44(28-50(38)30-46)42-16-10-36-6-2-4-8-40(36)26-42;1-7-15-39-31(9-1)17-21-41-37-13-5-3-11-33(37)25-43(53(39)41)35-19-23-49-45(27-35)47-29-48-46-28-36(20-24-50(46)56-52(48)30-51(47)55-49)44-26-34-12-4-6-14-38(34)42-22-18-32-10-2-8-16-40(32)54(42)44;1-2-9-33(10-3-1)35-17-18-37-26-38(20-19-36(37)25-35)40-22-24-52-48(29-40)50-31-49-47-28-39(21-23-51(47)55-53(49)32-54(50)56-52)34-12-8-13-41(27-34)46-30-42-11-4-5-14-43(42)44-15-6-7-16-45(44)46;1-3-9-33-31(7-1)37-13-5-11-35-29(17-19-39(33)49(35)37)27-15-21-45-41(23-27)43-25-44-42-24-28(16-22-46(42)52-48(44)26-47(43)51-45)30-18-20-40-34-10-4-2-8-32(34)38-14-6-12-36(30)50(38)40;1-3-9-33-23-39(17-15-31(33)7-1)35-11-5-13-37(25-35)41-19-21-47-43(27-41)45-29-46-44-28-42(20-22-48(44)52-50(46)30-49(45)51-47)38-14-6-12-36(26-38)40-18-16-32-8-2-4-10-34(32)24-40;1-3-7-37-25-39(19-17-31(37)5-1)33-9-13-35(14-10-33)41-21-23-47-43(27-41)45-29-46-44-28-42(22-24-48(44)52-50(46)30-49(45)51-47)36-15-11-34(12-16-36)40-20-18-32-6-2-4-8-38(32)26-40;1-2-9-30-22-32(17-16-29(30)8-1)34-19-21-46-42(25-34)44-27-43-41-24-33(18-20-45(41)49-47(43)28-48(44)50-46)31-11-7-12-35(23-31)40-26-36-10-3-4-13-37(36)38-14-5-6-15-39(38)40/h1-34H;1-30H;1-32H;1-26H;2*1-30H;1-28H.
What are the key properties of 6,18-bis(7-naphthalen-2-ylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(3-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(4-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(chrysen-5-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(fluoranthen-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(3-phenanthren-9-ylphenyl)-18-(6-phenylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene?
6,18-bis(7-naphthalen-2-ylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(3-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(4-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(chrysen-5-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(fluoranthen-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(3-phenanthren-9-ylphenyl)-18-(6-phenylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene has a molecular weight of 4807.67 g/mol, XLogP of 105.40, 23 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6,18-bis(7-naphthalen-2-ylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(3-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(4-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(chrysen-5-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(fluoranthen-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(3-phenanthren-9-ylphenyl)-18-(6-phenylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene is sourced from PubChem (CID 158602274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).