6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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-nonaene;17-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-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-nonaene;6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

C300H174O12 — CID 158462973

IUPAC6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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-nonaene;17-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-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-nonaene;6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)oc4cc6c(cc45)oc4ccccc46)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)oc4ccc6oc7ccccc7c6c45)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6c(ccc7c8ccccc8oc76)c5c4)c4ccccc34)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)oc5cc7oc8ccccc8c7cc56)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)oc5ccc7c8ccccc8oc7c56)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)oc5c6ccc6oc7ccccc7c65)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/3C52H30O2.3C48H28O2/c1-2-14-33-31(12-1)13-11-22-39(33)51-40-18-5-7-20-42(40)52(43-21-8-6-19-41(43)51)44-27-26-34(35-15-3-4-16-36(35)44)32-24-25-38-46-29-45-37-17-9-10-23-47(37)53-49(45)30-50(46)54-48(38)28-32;1-2-14-33-31(12-1)13-11-22-38(33)49-39-18-5-7-20-41(39)50(42-21-8-6-19-40(42)49)43-27-26-34(35-15-3-4-16-36(35)43)32-24-25-45-48(30-32)53-47-29-28-44-37-17-9-10-23-46(37)54-52(44)51(45)47;1-2-12-32-29-34(22-21-31(32)11-1)49-39-15-5-7-17-41(39)50(42-18-8-6-16-40(42)49)43-26-25-35(36-13-3-4-14-37(36)43)33-23-24-38-44-27-28-47-51(52(44)54-48(38)30-33)45-19-9-10-20-46(45)53-47;1-2-12-29(13-3-1)45-35-17-6-8-19-37(35)46(38-20-9-7-18-36(38)45)39-24-23-31(32-14-4-5-15-33(32)39)30-22-27-44-42(28-30)41-26-25-40-34-16-10-11-21-43(34)49-47(40)48(41)50-44;1-2-12-29(13-3-1)47-36-17-6-8-19-38(36)48(39-20-9-7-18-37(39)47)40-25-24-31(32-14-4-5-15-33(32)40)30-22-23-35-42-28-45-41(27-46(42)50-44(35)26-30)34-16-10-11-21-43(34)49-45;1-2-12-29(13-3-1)45-34-16-6-8-18-36(34)46(37-19-9-7-17-35(37)45)38-25-24-31(32-14-4-5-15-33(32)38)30-22-23-40-44(28-30)50-43-27-26-42-47(48(40)43)39-20-10-11-21-41(39)49-42/h3*1-30H;3*1-28H
InChIKeyHFKITTZMDQOODW-UHFFFAOYSA-N
MW3970.68 g/mol
LogP87.14
Rot. Bonds18

About 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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-nonaene;17-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-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-nonaene;6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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-nonaene;17-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-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-nonaene;6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene (PubChem CID 158462973) has the molecular formula C300H174O12 and a molecular weight of 3970.68 g/mol. Its IUPAC name is 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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-nonaene;17-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-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-nonaene;6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene.

Molecular Properties

Compound Name6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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-nonaene;17-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-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-nonaene;6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
PubChem CID158462973
Molecular FormulaC300H174O12
Molecular Weight3970.68 g/mol
Exact Mass3967.30
IUPAC Name6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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-nonaene;17-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-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-nonaene;6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)oc4cc6c(cc45)oc4ccccc46)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)oc4ccc6oc7ccccc7c6c45)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6c(ccc7c8ccccc8oc76)c5c4)c4ccccc34)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)oc5cc7oc8ccccc8c7cc56)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)oc5ccc7c8ccccc8oc7c56)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)oc5c6ccc6oc7ccccc7c65)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/3C52H30O2.3C48H28O2/c1-2-14-33-31(12-1)13-11-22-39(33)51-40-18-5-7-20-42(40)52(43-21-8-6-19-41(43)51)44-27-26-34(35-15-3-4-16-36(35)44)32-24-25-38-46-29-45-37-17-9-10-23-47(37)53-49(45)30-50(46)54-48(38)28-32;1-2-14-33-31(12-1)13-11-22-38(33)49-39-18-5-7-20-41(39)50(42-21-8-6-19-40(42)49)43-27-26-34(35-15-3-4-16-36(35)43)32-24-25-45-48(30-32)53-47-29-28-44-37-17-9-10-23-46(37)54-52(44)51(45)47;1-2-12-32-29-34(22-21-31(32)11-1)49-39-15-5-7-17-41(39)50(42-18-8-6-16-40(42)49)43-26-25-35(36-13-3-4-14-37(36)43)33-23-24-38-44-27-28-47-51(52(44)54-48(38)30-33)45-19-9-10-20-46(45)53-47;1-2-12-29(13-3-1)45-35-17-6-8-19-37(35)46(38-20-9-7-18-36(38)45)39-24-23-31(32-14-4-5-15-33(32)39)30-22-27-44-42(28-30)41-26-25-40-34-16-10-11-21-43(34)49-47(40)48(41)50-44;1-2-12-29(13-3-1)47-36-17-6-8-19-38(36)48(39-20-9-7-18-37(39)47)40-25-24-31(32-14-4-5-15-33(32)40)30-22-23-35-42-28-45-41(27-46(42)50-44(35)26-30)34-16-10-11-21-43(34)49-45;1-2-12-29(13-3-1)45-34-16-6-8-18-36(34)46(37-19-9-7-17-35(37)45)38-25-24-31(32-14-4-5-15-33(32)38)30-22-23-40-44(28-30)50-43-27-26-42-47(48(40)43)39-20-10-11-21-41(39)49-42/h3*1-30H;3*1-28H
InChIKeyHFKITTZMDQOODW-UHFFFAOYSA-N
XLogP87.14
TPSA157.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms312
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003970.68
LogP ≤ 587.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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-nonaene;17-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-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-nonaene;6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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-nonaene;17-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-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-nonaene;6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
The IUPAC name of 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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-nonaene;17-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-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-nonaene;6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene (CID 158462973) is 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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-nonaene;17-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-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-nonaene;6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene.
What is the SMILES notation for 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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-nonaene;17-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-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-nonaene;6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
The canonical SMILES for 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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-nonaene;17-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-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-nonaene;6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)oc4cc6c(cc45)oc4ccccc46)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)oc4ccc6oc7ccccc7c6c45)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6c(ccc7c8ccccc8oc76)c5c4)c4ccccc34)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)oc5cc7oc8ccccc8c7cc56)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)oc5ccc7c8ccccc8oc7c56)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)oc5c6ccc6oc7ccccc7c65)c5ccccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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-nonaene;17-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-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-nonaene;6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
The InChIKey is HFKITTZMDQOODW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C52H30O2.3C48H28O2/c1-2-14-33-31(12-1)13-11-22-39(33)51-40-18-5-7-20-42(40)52(43-21-8-6-19-41(43)51)44-27-26-34(35-15-3-4-16-36(35)44)32-24-25-38-46-29-45-37-17-9-10-23-47(37)53-49(45)30-50(46)54-48(38)28-32;1-2-14-33-31(12-1)13-11-22-38(33)49-39-18-5-7-20-41(39)50(42-21-8-6-19-40(42)49)43-27-26-34(35-15-3-4-16-36(35)43)32-24-25-45-48(30-32)53-47-29-28-44-37-17-9-10-23-46(37)54-52(44)51(45)47;1-2-12-32-29-34(22-21-31(32)11-1)49-39-15-5-7-17-41(39)50(42-18-8-6-16-40(42)49)43-26-25-35(36-13-3-4-14-37(36)43)33-23-24-38-44-27-28-47-51(52(44)54-48(38)30-33)45-19-9-10-20-46(45)53-47;1-2-12-29(13-3-1)45-35-17-6-8-19-37(35)46(38-20-9-7-18-36(38)45)39-24-23-31(32-14-4-5-15-33(32)39)30-22-27-44-42(28-30)41-26-25-40-34-16-10-11-21-43(34)49-47(40)48(41)50-44;1-2-12-29(13-3-1)47-36-17-6-8-19-38(36)48(39-20-9-7-18-37(39)47)40-25-24-31(32-14-4-5-15-33(32)40)30-22-23-35-42-28-45-41(27-46(42)50-44(35)26-30)34-16-10-11-21-43(34)49-45;1-2-12-29(13-3-1)45-34-16-6-8-18-36(34)46(37-19-9-7-17-35(37)45)38-25-24-31(32-14-4-5-15-33(32)38)30-22-23-40-44(28-30)50-43-27-26-42-47(48(40)43)39-20-10-11-21-41(39)49-42/h3*1-30H;3*1-28H.
What are the key properties of 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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-nonaene;17-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-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-nonaene;6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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-nonaene;17-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-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-nonaene;6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene has a molecular weight of 3970.68 g/mol, XLogP of 87.14, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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-nonaene;17-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-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-nonaene;6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene is sourced from PubChem (CID 158462973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).