18-(4-anthracen-9-ylphenyl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;(17E)-17-[(2E,5Z)-7-[10-[(E,4E)-4-cyclohex-2-en-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-3-methyl-4-methylideneocta-2,5,7-trienylidene]-10,16-dioxapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;naphthalene;18-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene

C156H104O6 — CID 161374898

About 18-(4-anthracen-9-ylphenyl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;(17E)-17-[(2E,5Z)-7-[10-[(E,4E)-4-cyclohex-2-en-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-3-methyl-4-methylideneocta-2,5,7-trienylidene]-10,16-dioxapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;naphthalene;18-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene

18-(4-anthracen-9-ylphenyl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;(17E)-17-[(2E,5Z)-7-[10-[(E,4E)-4-cyclohex-2-en-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-3-methyl-4-methylideneocta-2,5,7-trienylidene]-10,16-dioxapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;naphthalene;18-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene (PubChem CID 161374898) has the molecular formula C156H104O6 and a molecular weight of 2074.54 g/mol. Its IUPAC name is 18-(4-anthracen-9-ylphenyl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;(17E)-17-[(2E,5Z)-7-[10-[(E,4E)-4-cyclohex-2-en-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-3-methyl-4-methylideneocta-2,5,7-trienylidene]-10,16-dioxapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;naphthalene;18-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene.

Molecular Properties

• Compound Name: 18-(4-anthracen-9-ylphenyl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;(17E)-17-[(2E,5Z)-7-[10-[(E,4E)-4-cyclohex-2-en-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-3-methyl-4-methylideneocta-2,5,7-trienylidene]-10,16-dioxapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;naphthalene;18-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene
• PubChem CID: 161374898
• Molecular Formula: C156H104O6
• Molecular Weight: 2074.54 g/mol
• Exact Mass: 2072.78
• IUPAC Name: 18-(4-anthracen-9-ylphenyl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;(17E)-17-[(2E,5Z)-7-[10-[(E,4E)-4-cyclohex-2-en-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-3-methyl-4-methylideneocta-2,5,7-trienylidene]-10,16-dioxapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;naphthalene;18-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene
• SMILES: C=C(/C=C\C(=C)c1c2ccccc2c(/C(C)=C/C=C2/C=CCCC2)c2ccccc12)/C(C)=C/C=C1\Cc2cc3cc4c(cc3cc2O1)oc1ccccc14.c1ccc2c(-c3ccc(-c4ccc5oc6cc7c(ccc8oc9ccccc9c87)cc6c5c4)cc3)c3ccccc3cc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7cc8c(ccc9c%10ccccc%10oc89)cc7c6c5)cc4)c4ccccc34)ccc2c1.c1ccc2ccccc2c1
• InChI: InChI=1S/C52H30O2.C52H42O2.C42H24O2.C10H8/c1-2-10-34-27-37(22-19-31(34)9-1)51-41-14-5-3-12-39(41)50(40-13-4-6-15-42(40)51)33-20-17-32(18-21-33)35-24-26-48-45(28-35)46-29-36-23-25-43-38-11-7-8-16-47(38)54-52(43)44(36)30-49(46)53-48;1-33(34(2)25-27-41-29-40-28-38-30-47-42-16-12-13-21-48(42)54-50(47)32-39(38)31-49(40)53-41)22-23-35(3)51-43-17-8-10-19-45(43)52(46-20-11-9-18-44(46)51)36(4)24-26-37-14-6-5-7-15-37;1-3-9-31-28(7-1)21-29-8-2-4-10-32(29)41(31)26-15-13-25(14-16-26)27-17-19-38-35(22-27)36-23-30-18-20-39-42(34(30)24-40(36)44-38)33-11-5-6-12-37(33)43-39;1-2-6-10-8-4-3-7-9(10)5-1/h1-30H;6,8-14,16-28,30-32H,1,3,5,7,15,29H2,2,4H3;1-24H;1-8H/b;23-22-,34-25+,36-24+,37-26-,41-27+
• InChIKey: VQYFVNGSTGKXRC-RJUDNYFMSA-N
• XLogP: 44.92
• TPSA: 74.93 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2074.54
LogP ≤ 5	44.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 18-(4-anthracen-9-ylphenyl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;(17E)-17-[(2E,5Z)-7-[10-[(E,4E)-4-cyclohex-2-en-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-3-methyl-4-methylideneocta-2,5,7-trienylidene]-10,16-dioxapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;naphthalene;18-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene?

The IUPAC name of 18-(4-anthracen-9-ylphenyl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;(17E)-17-[(2E,5Z)-7-[10-[(E,4E)-4-cyclohex-2-en-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-3-methyl-4-methylideneocta-2,5,7-trienylidene]-10,16-dioxapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;naphthalene;18-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene (CID 161374898) is 18-(4-anthracen-9-ylphenyl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;(17E)-17-[(2E,5Z)-7-[10-[(E,4E)-4-cyclohex-2-en-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-3-methyl-4-methylideneocta-2,5,7-trienylidene]-10,16-dioxapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;naphthalene;18-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene.

What is the SMILES notation for 18-(4-anthracen-9-ylphenyl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;(17E)-17-[(2E,5Z)-7-[10-[(E,4E)-4-cyclohex-2-en-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-3-methyl-4-methylideneocta-2,5,7-trienylidene]-10,16-dioxapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;naphthalene;18-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene?

The canonical SMILES for 18-(4-anthracen-9-ylphenyl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;(17E)-17-[(2E,5Z)-7-[10-[(E,4E)-4-cyclohex-2-en-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-3-methyl-4-methylideneocta-2,5,7-trienylidene]-10,16-dioxapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;naphthalene;18-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene is C=C(/C=C\C(=C)c1c2ccccc2c(/C(C)=C/C=C2/C=CCCC2)c2ccccc12)/C(C)=C/C=C1\Cc2cc3cc4c(cc3cc2O1)oc1ccccc14.c1ccc2c(-c3ccc(-c4ccc5oc6cc7c(ccc8oc9ccccc9c87)cc6c5c4)cc3)c3ccccc3cc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7cc8c(ccc9c%10ccccc%10oc89)cc7c6c5)cc4)c4ccccc34)ccc2c1.c1ccc2ccccc2c1.

What is the InChIKey of 18-(4-anthracen-9-ylphenyl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;(17E)-17-[(2E,5Z)-7-[10-[(E,4E)-4-cyclohex-2-en-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-3-methyl-4-methylideneocta-2,5,7-trienylidene]-10,16-dioxapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;naphthalene;18-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene?

The InChIKey is VQYFVNGSTGKXRC-RJUDNYFMSA-N. The full InChI is InChI=1S/C52H30O2.C52H42O2.C42H24O2.C10H8/c1-2-10-34-27-37(22-19-31(34)9-1)51-41-14-5-3-12-39(41)50(40-13-4-6-15-42(40)51)33-20-17-32(18-21-33)35-24-26-48-45(28-35)46-29-36-23-25-43-38-11-7-8-16-47(38)54-52(43)44(36)30-49(46)53-48;1-33(34(2)25-27-41-29-40-28-38-30-47-42-16-12-13-21-48(42)54-50(47)32-39(38)31-49(40)53-41)22-23-35(3)51-43-17-8-10-19-45(43)52(46-20-11-9-18-44(46)51)36(4)24-26-37-14-6-5-7-15-37;1-3-9-31-28(7-1)21-29-8-2-4-10-32(29)41(31)26-15-13-25(14-16-26)27-17-19-38-35(22-27)36-23-30-18-20-39-42(34(30)24-40(36)44-38)33-11-5-6-12-37(33)43-39;1-2-6-10-8-4-3-7-9(10)5-1/h1-30H;6,8-14,16-28,30-32H,1,3,5,7,15,29H2,2,4H3;1-24H;1-8H/b;23-22-,34-25+,36-24+,37-26-,41-27+;;.

What are the key properties of 18-(4-anthracen-9-ylphenyl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;(17E)-17-[(2E,5Z)-7-[10-[(E,4E)-4-cyclohex-2-en-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-3-methyl-4-methylideneocta-2,5,7-trienylidene]-10,16-dioxapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;naphthalene;18-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene?

18-(4-anthracen-9-ylphenyl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;(17E)-17-[(2E,5Z)-7-[10-[(E,4E)-4-cyclohex-2-en-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-3-methyl-4-methylideneocta-2,5,7-trienylidene]-10,16-dioxapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;naphthalene;18-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene has a molecular weight of 2074.54 g/mol, XLogP of 44.92, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 18-(4-anthracen-9-ylphenyl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;(17E)-17-[(2E,5Z)-7-[10-[(E,4E)-4-cyclohex-2-en-1-ylidenebut-2-en-2-yl]anthracen-9-yl]-3-methyl-4-methylideneocta-2,5,7-trienylidene]-10,16-dioxapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),2,4,6,8,11,13,15(19)-octaene;naphthalene;18-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene is sourced from PubChem (CID 161374898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).