3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran

C174H106O4 — CID 158492616

IUPAC3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
SMILESc1cc(-c2ccc3c(c2)oc2cc4ccccc4cc23)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1cc(-c2ccc3c(c2)oc2cc4ccccc4cc23)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccc5c(c4)oc4cc6ccccc6cc45)c3)c3ccccc23)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)oc4cc6ccccc6cc45)c4ccccc34)ccc2c1
InChIInChI=1S/2C46H28O.C42H26O.C40H24O/c1-2-13-32-27-44-42(26-31(32)12-1)36-24-23-33(28-43(36)47-44)30-15-9-16-34(25-30)45-38-18-5-7-20-40(38)46(41-21-8-6-19-39(41)45)37-22-10-14-29-11-3-4-17-35(29)37;1-2-11-30-24-36(21-20-29(30)10-1)46-40-18-7-5-16-38(40)45(39-17-6-8-19-41(39)46)35-15-9-14-31(25-35)34-22-23-37-42-26-32-12-3-4-13-33(32)27-44(42)47-43(37)28-34;1-2-11-27(12-3-1)41-34-17-6-8-19-36(34)42(37-20-9-7-18-35(37)41)32-16-10-15-28(23-32)31-21-22-33-38-24-29-13-4-5-14-30(29)25-40(38)43-39(33)26-31;1-2-10-26-21-29(18-17-25(26)9-1)39-32-13-5-7-15-34(32)40(35-16-8-6-14-33(35)39)30-19-20-31-36-22-27-11-3-4-12-28(27)23-38(36)41-37(31)24-30/h2*1-28H;1-26H;1-24H
InChIKeyHIWOEYVCEXTZGF-UHFFFAOYSA-N
MW2260.76 g/mol
LogP49.98
Rot. Bonds11

About 3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran

3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran (PubChem CID 158492616) has the molecular formula C174H106O4 and a molecular weight of 2260.76 g/mol. Its IUPAC name is 3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
PubChem CID158492616
Molecular FormulaC174H106O4
Molecular Weight2260.76 g/mol
Exact Mass2258.81
IUPAC Name3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
SMILESc1cc(-c2ccc3c(c2)oc2cc4ccccc4cc23)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1cc(-c2ccc3c(c2)oc2cc4ccccc4cc23)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccc5c(c4)oc4cc6ccccc6cc45)c3)c3ccccc23)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)oc4cc6ccccc6cc45)c4ccccc34)ccc2c1
InChIInChI=1S/2C46H28O.C42H26O.C40H24O/c1-2-13-32-27-44-42(26-31(32)12-1)36-24-23-33(28-43(36)47-44)30-15-9-16-34(25-30)45-38-18-5-7-20-40(38)46(41-21-8-6-19-39(41)45)37-22-10-14-29-11-3-4-17-35(29)37;1-2-11-30-24-36(21-20-29(30)10-1)46-40-18-7-5-16-38(40)45(39-17-6-8-19-41(39)46)35-15-9-14-31(25-35)34-22-23-37-42-26-32-12-3-4-13-33(32)27-44(42)47-43(37)28-34;1-2-11-27(12-3-1)41-34-17-6-8-19-36(34)42(37-20-9-7-18-35(37)41)32-16-10-15-28(23-32)31-21-22-33-38-24-29-13-4-5-14-30(29)25-40(38)43-39(33)26-31;1-2-10-26-21-29(18-17-25(26)9-1)39-32-13-5-7-15-34(32)40(35-16-8-6-14-33(35)39)30-19-20-31-36-22-27-11-3-4-12-28(27)23-38(36)41-37(31)24-30/h2*1-28H;1-26H;1-24H
InChIKeyHIWOEYVCEXTZGF-UHFFFAOYSA-N
XLogP49.98
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms178
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002260.76
LogP ≤ 549.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran?
The IUPAC name of 3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran (CID 158492616) is 3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran is c1cc(-c2ccc3c(c2)oc2cc4ccccc4cc23)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1cc(-c2ccc3c(c2)oc2cc4ccccc4cc23)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccc5c(c4)oc4cc6ccccc6cc45)c3)c3ccccc23)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)oc4cc6ccccc6cc45)c4ccccc34)ccc2c1.
What is the InChIKey of 3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran?
The InChIKey is HIWOEYVCEXTZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H28O.C42H26O.C40H24O/c1-2-13-32-27-44-42(26-31(32)12-1)36-24-23-33(28-43(36)47-44)30-15-9-16-34(25-30)45-38-18-5-7-20-40(38)46(41-21-8-6-19-39(41)45)37-22-10-14-29-11-3-4-17-35(29)37;1-2-11-30-24-36(21-20-29(30)10-1)46-40-18-7-5-16-38(40)45(39-17-6-8-19-41(39)46)35-15-9-14-31(25-35)34-22-23-37-42-26-32-12-3-4-13-33(32)27-44(42)47-43(37)28-34;1-2-11-27(12-3-1)41-34-17-6-8-19-36(34)42(37-20-9-7-18-35(37)41)32-16-10-15-28(23-32)31-21-22-33-38-24-29-13-4-5-14-30(29)25-40(38)43-39(33)26-31;1-2-10-26-21-29(18-17-25(26)9-1)39-32-13-5-7-15-34(32)40(35-16-8-6-14-33(35)39)30-19-20-31-36-22-27-11-3-4-12-28(27)23-38(36)41-37(31)24-30/h2*1-28H;1-26H;1-24H.
What are the key properties of 3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran?
3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran has a molecular weight of 2260.76 g/mol, XLogP of 49.98, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 158492616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).