5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene;22-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene

C232H136O4 — CID 158132929

IUPAC5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene;22-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cc6oc7c8ccccc8c8ccccc8c7c6c6ccccc56)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)c5ccccc5c5c7ccc8ccccc8c7oc65)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6c(ccc7c6oc6c8ccccc8c8ccccc8c76)c5)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6cc7c(cc6c5)oc5c6ccccc6c6ccccc6c75)c5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/4C58H34O/c1-3-17-38-35(14-1)16-13-27-44(38)54-46-23-9-11-25-48(46)55(49-26-12-10-24-47(49)54)50-33-32-39(41-19-5-6-20-42(41)50)37-29-30-51-53(34-37)43-21-7-8-22-45(43)56-52-31-28-36-15-2-4-18-40(36)57(52)59-58(51)56;1-2-18-36-35(16-1)17-15-31-43(36)54-46-26-10-12-28-48(46)55(49-29-13-11-27-47(49)54)50-33-32-42(37-19-3-4-20-38(37)50)52-34-53-56(44-24-8-6-23-41(44)52)57-45-25-9-5-21-39(45)40-22-7-14-30-51(40)58(57)59-53;1-2-16-38-35(14-1)15-13-27-45(38)54-47-22-8-10-24-49(47)55(50-25-11-9-23-48(50)54)51-33-32-39(41-17-3-4-18-42(41)51)36-28-30-40-37(34-36)29-31-53-56-46-21-7-5-19-43(46)44-20-6-12-26-52(44)58(56)59-57(40)53;1-2-16-39-35(14-1)15-13-27-45(39)55-47-22-8-10-24-49(47)56(50-25-11-9-23-48(50)55)51-31-30-40(41-17-3-4-18-42(41)51)37-29-28-36-33-53-54(34-38(36)32-37)59-58-52-26-12-6-20-44(52)43-19-5-7-21-46(43)57(53)58/h4*1-34H
InChIKeyFSZQJSJJOCHCKF-UHFFFAOYSA-N
MW2987.64 g/mol
LogP66.64
Rot. Bonds12

About 5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene;22-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene

5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene;22-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene (PubChem CID 158132929) has the molecular formula C232H136O4 and a molecular weight of 2987.64 g/mol. Its IUPAC name is 5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene;22-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene.

Molecular Properties

Compound Name5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene;22-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
PubChem CID158132929
Molecular FormulaC232H136O4
Molecular Weight2987.64 g/mol
Exact Mass2985.04
IUPAC Name5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene;22-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cc6oc7c8ccccc8c8ccccc8c7c6c6ccccc56)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)c5ccccc5c5c7ccc8ccccc8c7oc65)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6c(ccc7c6oc6c8ccccc8c8ccccc8c76)c5)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6cc7c(cc6c5)oc5c6ccccc6c6ccccc6c75)c5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/4C58H34O/c1-3-17-38-35(14-1)16-13-27-44(38)54-46-23-9-11-25-48(46)55(49-26-12-10-24-47(49)54)50-33-32-39(41-19-5-6-20-42(41)50)37-29-30-51-53(34-37)43-21-7-8-22-45(43)56-52-31-28-36-15-2-4-18-40(36)57(52)59-58(51)56;1-2-18-36-35(16-1)17-15-31-43(36)54-46-26-10-12-28-48(46)55(49-29-13-11-27-47(49)54)50-33-32-42(37-19-3-4-20-38(37)50)52-34-53-56(44-24-8-6-23-41(44)52)57-45-25-9-5-21-39(45)40-22-7-14-30-51(40)58(57)59-53;1-2-16-38-35(14-1)15-13-27-45(38)54-47-22-8-10-24-49(47)55(50-25-11-9-23-48(50)54)51-33-32-39(41-17-3-4-18-42(41)51)36-28-30-40-37(34-36)29-31-53-56-46-21-7-5-19-43(46)44-20-6-12-26-52(44)58(56)59-57(40)53;1-2-16-39-35(14-1)15-13-27-45(39)55-47-22-8-10-24-49(47)56(50-25-11-9-23-48(50)55)51-31-30-40(41-17-3-4-18-42(41)51)37-29-28-36-33-53-54(34-38(36)32-37)59-58-52-26-12-6-20-44(52)43-19-5-7-21-46(43)57(53)58/h4*1-34H
InChIKeyFSZQJSJJOCHCKF-UHFFFAOYSA-N
XLogP66.64
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms236
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002987.64
LogP ≤ 566.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene;22-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene with MolForge

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Related Compounds

5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene
CID 130188759
5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaene
CID 122426934
26-(10-naphthalen-1-ylanthracen-9-yl)-13-oxaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene
CID 154600211
5,18-dinaphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 118933534
2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 134420396
18-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene;19-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16(21),17,19,22-undecaene;19-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 158054118
9-(3-naphthalen-1-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;4-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;8-(10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;19-(10-phenylanthracen-9-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 167561684
7-(3-naphthalen-1-ylphenyl)-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
CID 154600279
9-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 134487746
9-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-16-oxaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9(14),10,12,18,20,22,24,26,28-tetradecaene
CID 158339037
deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)-4-phenylnaphtho[2,3-b][1]benzofuran
CID 159175384
4-[3-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene
CID 130188810

Frequently Asked Questions

What is the IUPAC name of 5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene;22-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?
The IUPAC name of 5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene;22-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene (CID 158132929) is 5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene;22-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene.
What is the SMILES notation for 5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene;22-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?
The canonical SMILES for 5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene;22-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene is c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cc6oc7c8ccccc8c8ccccc8c7c6c6ccccc56)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)c5ccccc5c5c7ccc8ccccc8c7oc65)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6c(ccc7c6oc6c8ccccc8c8ccccc8c76)c5)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6cc7c(cc6c5)oc5c6ccccc6c6ccccc6c75)c5ccccc45)c4ccccc34)cccc2c1.
What is the InChIKey of 5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene;22-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?
The InChIKey is FSZQJSJJOCHCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C58H34O/c1-3-17-38-35(14-1)16-13-27-44(38)54-46-23-9-11-25-48(46)55(49-26-12-10-24-47(49)54)50-33-32-39(41-19-5-6-20-42(41)50)37-29-30-51-53(34-37)43-21-7-8-22-45(43)56-52-31-28-36-15-2-4-18-40(36)57(52)59-58(51)56;1-2-18-36-35(16-1)17-15-31-43(36)54-46-26-10-12-28-48(46)55(49-29-13-11-27-47(49)54)50-33-32-42(37-19-3-4-20-38(37)50)52-34-53-56(44-24-8-6-23-41(44)52)57-45-25-9-5-21-39(45)40-22-7-14-30-51(40)58(57)59-53;1-2-16-38-35(14-1)15-13-27-45(38)54-47-22-8-10-24-49(47)55(50-25-11-9-23-48(50)54)51-33-32-39(41-17-3-4-18-42(41)51)36-28-30-40-37(34-36)29-31-53-56-46-21-7-5-19-43(46)44-20-6-12-26-52(44)58(56)59-57(40)53;1-2-16-39-35(14-1)15-13-27-45(39)55-47-22-8-10-24-49(47)56(50-25-11-9-23-48(50)55)51-31-30-40(41-17-3-4-18-42(41)51)37-29-28-36-33-53-54(34-38(36)32-37)59-58-52-26-12-6-20-44(52)43-19-5-7-21-46(43)57(53)58/h4*1-34H.
What are the key properties of 5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene;22-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?
5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene;22-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene has a molecular weight of 2987.64 g/mol, XLogP of 66.64, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene;22-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene is sourced from PubChem (CID 158132929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).