17-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene

C52H28O2 — CID 155008327

IUPAC17-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene
SMILESc1ccc2cc3c(cc2c1)oc1ccc(-c2c4ccccc4c(-c4ccc5c(c4)oc4c6cccc7ccc8cccc(c54)c8c76)c4ccccc24)cc13
InChIInChI=1S/C52H28O2/c1-2-10-32-27-46-43(25-31(32)9-1)42-26-33(22-24-44(42)53-46)47-35-13-3-5-15-37(35)48(38-16-6-4-14-36(38)47)34-21-23-39-45(28-34)54-52-41-18-8-12-30-20-19-29-11-7-17-40(51(39)52)49(29)50(30)41/h1-28H
InChIKeyJYGOQAKFJGFVAL-UHFFFAOYSA-N
MW684.79 g/mol
LogP15.18
Rot. Bonds2

About 17-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene

17-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene (PubChem CID 155008327) has the molecular formula C52H28O2 and a molecular weight of 684.79 g/mol. Its IUPAC name is 17-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene.

Molecular Properties

Compound Name17-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene
PubChem CID155008327
Molecular FormulaC52H28O2
Molecular Weight684.79 g/mol
Exact Mass684.21
IUPAC Name17-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene
SMILESc1ccc2cc3c(cc2c1)oc1ccc(-c2c4ccccc4c(-c4ccc5c(c4)oc4c6cccc7ccc8cccc(c54)c8c76)c4ccccc24)cc13
InChIInChI=1S/C52H28O2/c1-2-10-32-27-46-43(25-31(32)9-1)42-26-33(22-24-44(42)53-46)47-35-13-3-5-15-37(35)48(38-16-6-4-14-36(38)47)34-21-23-39-45(28-34)54-52-41-18-8-12-30-20-19-29-11-7-17-40(51(39)52)49(29)50(30)41/h1-28H
InChIKeyJYGOQAKFJGFVAL-UHFFFAOYSA-N
XLogP15.18
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.79
LogP ≤ 515.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 17-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene with MolForge

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Related Compounds

16-[10-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-16-yl)anthracen-9-yl]anthracen-9-yl]-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene
CID 154595896
2-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 155205856
7-(10-dibenzofuran-2-ylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene
CID 130190316
18-(10-dibenzofuran-2-ylanthracen-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 90433540
16-[10-(3-naphthalen-2-ylphenyl)anthracen-9-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
CID 122415748
2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402714
6-(10-naphthalen-2-ylanthracen-9-yl)-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene
CID 130212342
6-(10-naphthalen-2-ylanthracen-9-yl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene
CID 163952307
16-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-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
CID 174289738
2-(10-phenanthren-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 90433755
19-[4-(10-naphthalen-2-ylanthracen-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 130185465
19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene
CID 130213583

Frequently Asked Questions

What is the IUPAC name of 17-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene?
The IUPAC name of 17-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene (CID 155008327) is 17-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene.
What is the SMILES notation for 17-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene?
The canonical SMILES for 17-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene is c1ccc2cc3c(cc2c1)oc1ccc(-c2c4ccccc4c(-c4ccc5c(c4)oc4c6cccc7ccc8cccc(c54)c8c76)c4ccccc24)cc13.
What is the InChIKey of 17-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene?
The InChIKey is JYGOQAKFJGFVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H28O2/c1-2-10-32-27-46-43(25-31(32)9-1)42-26-33(22-24-44(42)53-46)47-35-13-3-5-15-37(35)48(38-16-6-4-14-36(38)47)34-21-23-39-45(28-34)54-52-41-18-8-12-30-20-19-29-11-7-17-40(51(39)52)49(29)50(30)41/h1-28H.
What are the key properties of 17-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene?
17-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene has a molecular weight of 684.79 g/mol, XLogP of 15.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene is sourced from PubChem (CID 155008327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).