6-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran

C220H132O6 — CID 163549748

IUPAC6-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
SMILESc1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc(-c2c3oc4ccccc4c3cc3c2oc2ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3c4ccccc4cc4c3oc3ccccc34)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3c4ccccc4cc4c3oc3ccccc34)c3ccccc23)c1.c1ccc2c(-c3c4ccccc4c(-c4c5ccccc5cc5c4oc4ccccc45)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4c5ccccc5cc5c4oc4ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C48H28O2.2C46H28O.2C40H24O/c1-2-13-30-26-33(25-24-29(30)12-1)45-38-20-5-3-18-36(38)44(37-19-4-6-21-39(37)45)31-14-11-15-32(27-31)46-47-40(34-16-7-9-22-42(34)49-47)28-41-35-17-8-10-23-43(35)50-48(41)46;1-3-18-33-29(13-1)15-12-25-34(33)30-16-11-17-32(27-30)43-37-21-5-7-23-39(37)44(40-24-8-6-22-38(40)43)45-35-19-4-2-14-31(35)28-41-36-20-9-10-26-42(36)47-46(41)45;1-2-13-30-26-32(25-24-29(30)12-1)31-15-11-16-34(27-31)43-37-19-5-7-21-39(37)44(40-22-8-6-20-38(40)43)45-35-17-4-3-14-33(35)28-41-36-18-9-10-23-42(36)47-46(41)45;1-3-15-27-25(12-1)14-11-22-30(27)37-31-18-5-7-20-33(31)38(34-21-8-6-19-32(34)37)39-28-16-4-2-13-26(28)24-35-29-17-9-10-23-36(29)41-40(35)39;1-2-12-26-23-28(22-21-25(26)11-1)37-31-16-5-7-18-33(31)38(34-19-8-6-17-32(34)37)39-29-14-4-3-13-27(29)24-35-30-15-9-10-20-36(30)41-40(35)39/h1-28H;2*1-28H;2*1-24H
InChIKeyFIBQLUSRBURNDM-UHFFFAOYSA-N
MW2871.47 g/mol
LogP63.41
Rot. Bonds13

About 6-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran

6-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 163549748) has the molecular formula C220H132O6 and a molecular weight of 2871.47 g/mol. Its IUPAC name is 6-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name6-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
PubChem CID163549748
Molecular FormulaC220H132O6
Molecular Weight2871.47 g/mol
Exact Mass2869.00
IUPAC Name6-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
SMILESc1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc(-c2c3oc4ccccc4c3cc3c2oc2ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3c4ccccc4cc4c3oc3ccccc34)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3c4ccccc4cc4c3oc3ccccc34)c3ccccc23)c1.c1ccc2c(-c3c4ccccc4c(-c4c5ccccc5cc5c4oc4ccccc45)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4c5ccccc5cc5c4oc4ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C48H28O2.2C46H28O.2C40H24O/c1-2-13-30-26-33(25-24-29(30)12-1)45-38-20-5-3-18-36(38)44(37-19-4-6-21-39(37)45)31-14-11-15-32(27-31)46-47-40(34-16-7-9-22-42(34)49-47)28-41-35-17-8-10-23-43(35)50-48(41)46;1-3-18-33-29(13-1)15-12-25-34(33)30-16-11-17-32(27-30)43-37-21-5-7-23-39(37)44(40-24-8-6-22-38(40)43)45-35-19-4-2-14-31(35)28-41-36-20-9-10-26-42(36)47-46(41)45;1-2-13-30-26-32(25-24-29(30)12-1)31-15-11-16-34(27-31)43-37-19-5-7-21-39(37)44(40-22-8-6-20-38(40)43)45-35-17-4-3-14-33(35)28-41-36-18-9-10-23-42(36)47-46(41)45;1-3-15-27-25(12-1)14-11-22-30(27)37-31-18-5-7-20-33(31)38(34-21-8-6-19-32(34)37)39-28-16-4-2-13-26(28)24-35-29-17-9-10-23-36(29)41-40(35)39;1-2-12-26-23-28(22-21-25(26)11-1)37-31-16-5-7-18-33(31)38(34-19-8-6-17-32(34)37)39-29-14-4-3-13-27(29)24-35-30-15-9-10-20-36(30)41-40(35)39/h1-28H;2*1-28H;2*1-24H
InChIKeyFIBQLUSRBURNDM-UHFFFAOYSA-N
XLogP63.41
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms226
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002871.47
LogP ≤ 563.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The IUPAC name of 6-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran (CID 163549748) is 6-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 6-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 6-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran is c1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc(-c2c3oc4ccccc4c3cc3c2oc2ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3c4ccccc4cc4c3oc3ccccc34)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3c4ccccc4cc4c3oc3ccccc34)c3ccccc23)c1.c1ccc2c(-c3c4ccccc4c(-c4c5ccccc5cc5c4oc4ccccc45)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4c5ccccc5cc5c4oc4ccccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 6-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The InChIKey is FIBQLUSRBURNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28O2.2C46H28O.2C40H24O/c1-2-13-30-26-33(25-24-29(30)12-1)45-38-20-5-3-18-36(38)44(37-19-4-6-21-39(37)45)31-14-11-15-32(27-31)46-47-40(34-16-7-9-22-42(34)49-47)28-41-35-17-8-10-23-43(35)50-48(41)46;1-3-18-33-29(13-1)15-12-25-34(33)30-16-11-17-32(27-30)43-37-21-5-7-23-39(37)44(40-24-8-6-22-38(40)43)45-35-19-4-2-14-31(35)28-41-36-20-9-10-26-42(36)47-46(41)45;1-2-13-30-26-32(25-24-29(30)12-1)31-15-11-16-34(27-31)43-37-19-5-7-21-39(37)44(40-22-8-6-20-38(40)43)45-35-17-4-3-14-33(35)28-41-36-18-9-10-23-42(36)47-46(41)45;1-3-15-27-25(12-1)14-11-22-30(27)37-31-18-5-7-20-33(31)38(34-21-8-6-19-32(34)37)39-28-16-4-2-13-26(28)24-35-29-17-9-10-23-36(29)41-40(35)39;1-2-12-26-23-28(22-21-25(26)11-1)37-31-16-5-7-18-33(31)38(34-19-8-6-17-32(34)37)39-29-14-4-3-13-27(29)24-35-30-15-9-10-20-36(30)41-40(35)39/h1-28H;2*1-28H;2*1-24H.
What are the key properties of 6-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
6-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 2871.47 g/mol, XLogP of 63.41, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 163549748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).