2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenanthren-9-yldibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran

C114H70O2 — CID 158272088

IUPAC2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenanthren-9-yldibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran
SMILESc1ccc(-c2ccc3cc(-c4ccc5c(c4)oc4ccc(-c6ccc(-c7c8ccccc8c(-c8cccc9ccccc89)c8ccccc78)cc6)cc45)ccc3c2)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7c(-c8cc9ccccc9c9ccccc89)cccc7c6c5)cc4)c4ccccc34)cccc2c1
InChIInChI=1S/C58H36O.C56H34O/c1-2-11-37(12-3-1)41-25-26-43-34-44(28-27-42(43)33-41)46-29-31-48-54-35-45(30-32-55(54)59-56(48)36-46)38-21-23-40(24-22-38)57-50-16-6-8-18-52(50)58(53-19-9-7-17-51(53)57)49-20-10-14-39-13-4-5-15-47(39)49;1-3-16-40-36(13-1)15-11-24-44(40)55-47-22-9-7-20-45(47)54(46-21-8-10-23-48(46)55)37-29-27-35(28-30-37)38-31-32-53-52(33-38)50-26-12-25-49(56(50)57-53)51-34-39-14-2-4-17-41(39)42-18-5-6-19-43(42)51/h1-36H;1-34H
InChIKeyGJDXBWXKSJTEFB-UHFFFAOYSA-N
MW1471.81 g/mol
LogP32.55
Rot. Bonds9

About 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenanthren-9-yldibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran

2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenanthren-9-yldibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran (PubChem CID 158272088) has the molecular formula C114H70O2 and a molecular weight of 1471.81 g/mol. Its IUPAC name is 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenanthren-9-yldibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran.

Molecular Properties

Compound Name2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenanthren-9-yldibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran
PubChem CID158272088
Molecular FormulaC114H70O2
Molecular Weight1471.81 g/mol
Exact Mass1470.54
IUPAC Name2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenanthren-9-yldibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran
SMILESc1ccc(-c2ccc3cc(-c4ccc5c(c4)oc4ccc(-c6ccc(-c7c8ccccc8c(-c8cccc9ccccc89)c8ccccc78)cc6)cc45)ccc3c2)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7c(-c8cc9ccccc9c9ccccc89)cccc7c6c5)cc4)c4ccccc34)cccc2c1
InChIInChI=1S/C58H36O.C56H34O/c1-2-11-37(12-3-1)41-25-26-43-34-44(28-27-42(43)33-41)46-29-31-48-54-35-45(30-32-55(54)59-56(48)36-46)38-21-23-40(24-22-38)57-50-16-6-8-18-52(50)58(53-19-9-7-17-51(53)57)49-20-10-14-39-13-4-5-15-47(39)49;1-3-16-40-36(13-1)15-11-24-44(40)55-47-22-9-7-20-45(47)54(46-21-8-10-23-48(46)55)37-29-27-35(28-30-37)38-31-32-53-52(33-38)50-26-12-25-49(56(50)57-53)51-34-39-14-2-4-17-41(39)42-18-5-6-19-43(42)51/h1-36H;1-34H
InChIKeyGJDXBWXKSJTEFB-UHFFFAOYSA-N
XLogP32.55
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001471.81
LogP ≤ 532.55
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 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenanthren-9-yldibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran with MolForge

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Related Compounds

9,10-bis(3-phenylphenyl)anthracene;9,10-bis(4-phenylphenyl)anthracene;2-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran;9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-di(phenanthren-9-yl)anthracene
CID 159984681
2-phenyl-7-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-phenyl-7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 161333068
2-(10-naphthalen-1-ylanthracen-9-yl)-4-(4-phenylnaphthalen-2-yl)dibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran
CID 158350567
9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-phenanthren-2-ylanthracene;2-[6-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran;4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-phenanthren-2-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene;9-phenanthren-2-yl-10-[4-(3-phenylphenyl)naphthalen-1-yl]anthracene;9-phenanthren-2-yl-10-[4-(4-phenylphenyl)naphthalen-1-yl]anthracene
CID 160952917
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran;2-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 158528042
8-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran;8-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran
CID 159518603
8-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran
CID 158036336
4-(10-dibenzofuran-4-yl-2-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)dibenzofuran;9,10-dinaphthalen-2-yl-2-phenylanthracene;2-(2-phenyl-10-triphenylen-2-ylanthracen-9-yl)triphenylene
CID 158427881
9-naphthalen-1-yl-10-[4-(6-phenylnaphthalen-2-yl)phenyl]anthracene;9-[6-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[3-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]dibenzofuran
CID 165012926
2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;10-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-phenyl-8-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]dibenzofuran
CID 158442186
4-[6-[4-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]naphthalen-1-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 166928345
2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 159962992

Frequently Asked Questions

What is the IUPAC name of 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenanthren-9-yldibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran?
The IUPAC name of 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenanthren-9-yldibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran (CID 158272088) is 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenanthren-9-yldibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran.
What is the SMILES notation for 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenanthren-9-yldibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran?
The canonical SMILES for 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenanthren-9-yldibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran is c1ccc(-c2ccc3cc(-c4ccc5c(c4)oc4ccc(-c6ccc(-c7c8ccccc8c(-c8cccc9ccccc89)c8ccccc78)cc6)cc45)ccc3c2)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7c(-c8cc9ccccc9c9ccccc89)cccc7c6c5)cc4)c4ccccc34)cccc2c1.
What is the InChIKey of 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenanthren-9-yldibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran?
The InChIKey is GJDXBWXKSJTEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36O.C56H34O/c1-2-11-37(12-3-1)41-25-26-43-34-44(28-27-42(43)33-41)46-29-31-48-54-35-45(30-32-55(54)59-56(48)36-46)38-21-23-40(24-22-38)57-50-16-6-8-18-52(50)58(53-19-9-7-17-51(53)57)49-20-10-14-39-13-4-5-15-47(39)49;1-3-16-40-36(13-1)15-11-24-44(40)55-47-22-9-7-20-45(47)54(46-21-8-10-23-48(46)55)37-29-27-35(28-30-37)38-31-32-53-52(33-38)50-26-12-25-49(56(50)57-53)51-34-39-14-2-4-17-41(39)42-18-5-6-19-43(42)51/h1-36H;1-34H.
What are the key properties of 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenanthren-9-yldibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran?
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenanthren-9-yldibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran has a molecular weight of 1471.81 g/mol, XLogP of 32.55, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenanthren-9-yldibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran is sourced from PubChem (CID 158272088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).