5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;5-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran

C222H132O7 — CID 159515776

IUPAC5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;5-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cc4c5ccccc5oc4c4c3oc3ccccc34)c3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cc4c5ccccc5oc4c4ccccc34)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cc4c5ccccc5oc4c4c3oc3ccccc34)c3ccccc23)c1.c1ccc2c(-c3c4ccccc4c(-c4cc5c6ccccc6oc5c5ccccc45)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4cc5c6ccccc6oc5c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/2C48H28O2.C46H28O.2C40H24O/c1-2-17-32-29(13-1)14-12-24-33(32)30-15-11-16-31(27-30)44-35-19-3-5-21-37(35)45(38-22-6-4-20-36(38)44)41-28-40-34-18-7-9-25-42(34)49-47(40)46-39-23-8-10-26-43(39)50-48(41)46;1-2-13-30-26-32(25-24-29(30)12-1)31-14-11-15-33(27-31)44-35-17-3-5-19-37(35)45(38-20-6-4-18-36(38)44)41-28-40-34-16-7-9-22-42(34)49-47(40)46-39-21-8-10-23-43(39)50-48(41)46;1-2-13-30-26-32(25-24-29(30)12-1)31-14-11-15-33(27-31)44-36-18-4-6-20-38(36)45(39-21-7-5-19-37(39)44)41-28-42-35-17-9-10-23-43(35)47-46(42)40-22-8-3-16-34(40)41;1-2-14-26-25(12-1)13-11-22-29(26)38-30-17-4-6-19-32(30)39(33-20-7-5-18-31(33)38)35-24-36-28-16-9-10-23-37(28)41-40(36)34-21-8-3-15-27(34)35;1-2-12-26-23-27(22-21-25(26)11-1)38-30-15-4-6-17-32(30)39(33-18-7-5-16-31(33)38)35-24-36-29-14-9-10-20-37(29)41-40(36)34-19-8-3-13-28(34)35/h2*1-28H;1-28H;2*1-24H
InChIKeyMBEFSRQRBLEWCU-UHFFFAOYSA-N
MW2911.49 g/mol
LogP64.16
Rot. Bonds13

About 5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;5-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran

5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;5-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 159515776) has the molecular formula C222H132O7 and a molecular weight of 2911.49 g/mol. Its IUPAC name is 5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;5-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;5-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
PubChem CID159515776
Molecular FormulaC222H132O7
Molecular Weight2911.49 g/mol
Exact Mass2909.00
IUPAC Name5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;5-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cc4c5ccccc5oc4c4c3oc3ccccc34)c3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cc4c5ccccc5oc4c4ccccc34)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cc4c5ccccc5oc4c4c3oc3ccccc34)c3ccccc23)c1.c1ccc2c(-c3c4ccccc4c(-c4cc5c6ccccc6oc5c5ccccc45)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4cc5c6ccccc6oc5c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/2C48H28O2.C46H28O.2C40H24O/c1-2-17-32-29(13-1)14-12-24-33(32)30-15-11-16-31(27-30)44-35-19-3-5-21-37(35)45(38-22-6-4-20-36(38)44)41-28-40-34-18-7-9-25-42(34)49-47(40)46-39-23-8-10-26-43(39)50-48(41)46;1-2-13-30-26-32(25-24-29(30)12-1)31-14-11-15-33(27-31)44-35-17-3-5-19-37(35)45(38-20-6-4-18-36(38)44)41-28-40-34-16-7-9-22-42(34)49-47(40)46-39-21-8-10-23-43(39)50-48(41)46;1-2-13-30-26-32(25-24-29(30)12-1)31-14-11-15-33(27-31)44-36-18-4-6-20-38(36)45(39-21-7-5-19-37(39)44)41-28-42-35-17-9-10-23-43(35)47-46(42)40-22-8-3-16-34(40)41;1-2-14-26-25(12-1)13-11-22-29(26)38-30-17-4-6-19-32(30)39(33-20-7-5-18-31(33)38)35-24-36-28-16-9-10-23-37(28)41-40(36)34-21-8-3-15-27(34)35;1-2-12-26-23-27(22-21-25(26)11-1)38-30-15-4-6-17-32(30)39(33-18-7-5-16-31(33)38)35-24-36-29-14-9-10-20-37(29)41-40(36)34-19-8-3-13-28(34)35/h2*1-28H;1-28H;2*1-24H
InChIKeyMBEFSRQRBLEWCU-UHFFFAOYSA-N
XLogP64.16
TPSA91.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms229
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002911.49
LogP ≤ 564.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;5-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;5-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The IUPAC name of 5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;5-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (CID 159515776) is 5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;5-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;5-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;5-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cc4c5ccccc5oc4c4c3oc3ccccc34)c3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cc4c5ccccc5oc4c4ccccc34)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cc4c5ccccc5oc4c4c3oc3ccccc34)c3ccccc23)c1.c1ccc2c(-c3c4ccccc4c(-c4cc5c6ccccc6oc5c5ccccc45)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4cc5c6ccccc6oc5c5ccccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;5-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The InChIKey is MBEFSRQRBLEWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H28O2.C46H28O.2C40H24O/c1-2-17-32-29(13-1)14-12-24-33(32)30-15-11-16-31(27-30)44-35-19-3-5-21-37(35)45(38-22-6-4-20-36(38)44)41-28-40-34-18-7-9-25-42(34)49-47(40)46-39-23-8-10-26-43(39)50-48(41)46;1-2-13-30-26-32(25-24-29(30)12-1)31-14-11-15-33(27-31)44-35-17-3-5-19-37(35)45(38-20-6-4-18-36(38)44)41-28-40-34-16-7-9-22-42(34)49-47(40)46-39-21-8-10-23-43(39)50-48(41)46;1-2-13-30-26-32(25-24-29(30)12-1)31-14-11-15-33(27-31)44-36-18-4-6-20-38(36)45(39-21-7-5-19-37(39)44)41-28-42-35-17-9-10-23-43(35)47-46(42)40-22-8-3-16-34(40)41;1-2-14-26-25(12-1)13-11-22-29(26)38-30-17-4-6-19-32(30)39(33-20-7-5-18-31(33)38)35-24-36-28-16-9-10-23-37(28)41-40(36)34-21-8-3-15-27(34)35;1-2-12-26-23-27(22-21-25(26)11-1)38-30-15-4-6-17-32(30)39(33-18-7-5-16-31(33)38)35-24-36-29-14-9-10-20-37(29)41-40(36)34-19-8-3-13-28(34)35/h2*1-28H;1-28H;2*1-24H.
What are the key properties of 5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;5-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;5-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran has a molecular weight of 2911.49 g/mol, XLogP of 64.16, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;5-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 159515776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).