7-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;7-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran

C164H100O4 — CID 165076267

IUPAC7-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;7-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5oc6c7ccccc7ccc6c45)cc3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cccc4oc5c6ccccc6ccc5c34)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5oc6c7ccccc7ccc6c45)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5oc6c7ccccc7ccc6c45)c4ccccc34)ccc2c1
InChIInChI=1S/2C42H26O.2C40H24O/c1-2-12-29(13-3-1)39-33-15-6-8-17-35(33)40(36-18-9-7-16-34(36)39)30-23-21-28(22-24-30)31-19-10-20-38-41(31)37-26-25-27-11-4-5-14-32(27)42(37)43-38;1-2-13-27(14-3-1)29-16-6-7-18-31(29)39-32-19-8-10-21-34(32)40(35-22-11-9-20-33(35)39)36-23-12-24-38-41(36)37-26-25-28-15-4-5-17-30(28)42(37)43-38;1-3-14-27-25(11-1)13-9-20-29(27)37-30-16-5-7-18-32(30)38(33-19-8-6-17-31(33)37)34-21-10-22-36-39(34)35-24-23-26-12-2-4-15-28(26)40(35)41-36;1-2-12-27-24-28(21-20-25(27)10-1)37-30-14-5-7-16-32(30)38(33-17-8-6-15-31(33)37)34-18-9-19-36-39(34)35-23-22-26-11-3-4-13-29(26)40(35)41-36/h2*1-26H;2*1-24H
InChIKeyUIUOAYLIDAMARH-UHFFFAOYSA-N
MW2134.60 g/mol
LogP47.16
Rot. Bonds10

About 7-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;7-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran

7-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;7-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 165076267) has the molecular formula C164H100O4 and a molecular weight of 2134.60 g/mol. Its IUPAC name is 7-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;7-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name7-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;7-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
PubChem CID165076267
Molecular FormulaC164H100O4
Molecular Weight2134.60 g/mol
Exact Mass2132.76
IUPAC Name7-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;7-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5oc6c7ccccc7ccc6c45)cc3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cccc4oc5c6ccccc6ccc5c34)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5oc6c7ccccc7ccc6c45)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5oc6c7ccccc7ccc6c45)c4ccccc34)ccc2c1
InChIInChI=1S/2C42H26O.2C40H24O/c1-2-12-29(13-3-1)39-33-15-6-8-17-35(33)40(36-18-9-7-16-34(36)39)30-23-21-28(22-24-30)31-19-10-20-38-41(31)37-26-25-27-11-4-5-14-32(27)42(37)43-38;1-2-13-27(14-3-1)29-16-6-7-18-31(29)39-32-19-8-10-21-34(32)40(35-22-11-9-20-33(35)39)36-23-12-24-38-41(36)37-26-25-28-15-4-5-17-30(28)42(37)43-38;1-3-14-27-25(11-1)13-9-20-29(27)37-30-16-5-7-18-32(30)38(33-19-8-6-17-31(33)37)34-21-10-22-36-39(34)35-24-23-26-12-2-4-15-28(26)40(35)41-36;1-2-12-27-24-28(21-20-25(27)10-1)37-30-14-5-7-16-32(30)38(33-17-8-6-15-31(33)37)34-18-9-19-36-39(34)35-23-22-26-11-3-4-13-29(26)40(35)41-36/h2*1-26H;2*1-24H
InChIKeyUIUOAYLIDAMARH-UHFFFAOYSA-N
XLogP47.16
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms168
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002134.60
LogP ≤ 547.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;7-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;7-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The IUPAC name of 7-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;7-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (CID 165076267) is 7-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;7-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 7-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;7-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 7-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;7-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5oc6c7ccccc7ccc6c45)cc3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cccc4oc5c6ccccc6ccc5c34)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5oc6c7ccccc7ccc6c45)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5oc6c7ccccc7ccc6c45)c4ccccc34)ccc2c1.
What is the InChIKey of 7-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;7-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The InChIKey is UIUOAYLIDAMARH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H26O.2C40H24O/c1-2-12-29(13-3-1)39-33-15-6-8-17-35(33)40(36-18-9-7-16-34(36)39)30-23-21-28(22-24-30)31-19-10-20-38-41(31)37-26-25-27-11-4-5-14-32(27)42(37)43-38;1-2-13-27(14-3-1)29-16-6-7-18-31(29)39-32-19-8-10-21-34(32)40(35-22-11-9-20-33(35)39)36-23-12-24-38-41(36)37-26-25-28-15-4-5-17-30(28)42(37)43-38;1-3-14-27-25(11-1)13-9-20-29(27)37-30-16-5-7-18-32(30)38(33-19-8-6-17-31(33)37)34-21-10-22-36-39(34)35-24-23-26-12-2-4-15-28(26)40(35)41-36;1-2-12-27-24-28(21-20-25(27)10-1)37-30-14-5-7-16-32(30)38(33-17-8-6-15-31(33)37)34-18-9-19-36-39(34)35-23-22-26-11-3-4-13-29(26)40(35)41-36/h2*1-26H;2*1-24H.
What are the key properties of 7-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;7-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
7-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;7-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran has a molecular weight of 2134.60 g/mol, XLogP of 47.16, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;7-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 165076267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).