2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(3-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran

C248H152O4 — CID 162138593

IUPAC2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(3-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran
SMILESc1cc(-c2c3ccccc3c(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)c3cc(-c4ccc5oc6ccccc6c5c4)ccc23)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5cc(-c6ccc7oc8ccccc8c7c6)ccc45)cc3)cccc2c1.c1ccc2c(c1)cc(-c1ccc(-c3c4ccccc4c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4cc(-c5ccc6oc7ccccc7c6c5)ccc34)cc1)c1ccccc12.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5cc(-c6ccc7oc8ccccc8c7c6)ccc45)cc3)ccc2c1
InChIInChI=1S/2C66H40O.2C58H36O/c1-3-21-49-45(15-1)39-59(53-25-7-5-23-51(49)53)43-17-13-19-47(35-43)65-56-28-9-10-29-57(56)66(48-20-14-18-44(36-48)60-40-46-16-2-4-22-50(46)52-24-6-8-26-54(52)60)62-38-41(31-33-58(62)65)42-32-34-64-61(37-42)55-27-11-12-30-63(55)67-64;1-3-15-49-47(13-1)39-59(53-19-7-5-17-51(49)53)41-25-29-43(30-26-41)65-56-22-9-10-23-57(56)66(44-31-27-42(28-32-44)60-40-48-14-2-4-16-50(48)52-18-6-8-20-54(52)60)62-38-45(33-35-58(62)65)46-34-36-64-61(37-46)55-21-11-12-24-63(55)67-64;1-3-15-45-37(11-1)13-9-20-47(45)39-23-27-41(28-24-39)57-50-18-5-6-19-51(50)58(42-29-25-40(26-30-42)48-21-10-14-38-12-2-4-16-46(38)48)54-36-43(31-33-52(54)57)44-32-34-56-53(35-44)49-17-7-8-22-55(49)59-56;1-3-11-43-33-45(27-21-37(43)9-1)39-17-23-41(24-18-39)57-50-14-5-6-15-51(50)58(42-25-19-40(20-26-42)46-28-22-38-10-2-4-12-44(38)34-46)54-36-47(29-31-52(54)57)48-30-32-56-53(35-48)49-13-7-8-16-55(49)59-56/h2*1-40H;2*1-36H
InChIKeyZJPYKWQROZJKQR-UHFFFAOYSA-N
MW3195.94 g/mol
LogP70.75
Rot. Bonds20

About 2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(3-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran

2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(3-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran (PubChem CID 162138593) has the molecular formula C248H152O4 and a molecular weight of 3195.94 g/mol. Its IUPAC name is 2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(3-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran.

Molecular Properties

Compound Name2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(3-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran
PubChem CID162138593
Molecular FormulaC248H152O4
Molecular Weight3195.94 g/mol
Exact Mass3193.17
IUPAC Name2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(3-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran
SMILESc1cc(-c2c3ccccc3c(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)c3cc(-c4ccc5oc6ccccc6c5c4)ccc23)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5cc(-c6ccc7oc8ccccc8c7c6)ccc45)cc3)cccc2c1.c1ccc2c(c1)cc(-c1ccc(-c3c4ccccc4c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4cc(-c5ccc6oc7ccccc7c6c5)ccc34)cc1)c1ccccc12.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5cc(-c6ccc7oc8ccccc8c7c6)ccc45)cc3)ccc2c1
InChIInChI=1S/2C66H40O.2C58H36O/c1-3-21-49-45(15-1)39-59(53-25-7-5-23-51(49)53)43-17-13-19-47(35-43)65-56-28-9-10-29-57(56)66(48-20-14-18-44(36-48)60-40-46-16-2-4-22-50(46)52-24-6-8-26-54(52)60)62-38-41(31-33-58(62)65)42-32-34-64-61(37-42)55-27-11-12-30-63(55)67-64;1-3-15-49-47(13-1)39-59(53-19-7-5-17-51(49)53)41-25-29-43(30-26-41)65-56-22-9-10-23-57(56)66(44-31-27-42(28-32-44)60-40-48-14-2-4-16-50(48)52-18-6-8-20-54(52)60)62-38-45(33-35-58(62)65)46-34-36-64-61(37-46)55-21-11-12-24-63(55)67-64;1-3-15-45-37(11-1)13-9-20-47(45)39-23-27-41(28-24-39)57-50-18-5-6-19-51(50)58(42-29-25-40(26-30-42)48-21-10-14-38-12-2-4-16-46(38)48)54-36-43(31-33-52(54)57)44-32-34-56-53(35-44)49-17-7-8-22-55(49)59-56;1-3-11-43-33-45(27-21-37(43)9-1)39-17-23-41(24-18-39)57-50-14-5-6-15-51(50)58(42-25-19-40(20-26-42)46-28-22-38-10-2-4-12-44(38)34-46)54-36-47(29-31-52(54)57)48-30-32-56-53(35-48)49-13-7-8-16-55(49)59-56/h2*1-40H;2*1-36H
InChIKeyZJPYKWQROZJKQR-UHFFFAOYSA-N
XLogP70.75
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms252
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003195.94
LogP ≤ 570.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(3-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran with MolForge

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Related Compounds

9-naphthalen-2-yl-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(3-phenanthren-2-ylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(3-phenanthren-2-ylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;2-[3-[10-(3-phenanthren-3-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(3-phenanthren-3-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 158302263
2-[4-(3-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 58323246
2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 160678336
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)dibenzofuran
CID 161162681
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
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 161467576
2-naphthalen-1-yl-9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-phenanthren-9-yl-10-phenylanthracene;9-(3-phenanthren-9-ylphenyl)-10-phenylanthracene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 165025568
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167561515
2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran
CID 143914037
2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 59866524
2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 163725352
2,9-dinaphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;2,9-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;2,9-dinaphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene;9-(3,5-dinaphthalen-1-ylphenyl)-2,10-dinaphthalen-2-ylanthracene
CID 158522790

Frequently Asked Questions

What is the IUPAC name of 2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(3-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran?
The IUPAC name of 2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(3-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran (CID 162138593) is 2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(3-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran.
What is the SMILES notation for 2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(3-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran?
The canonical SMILES for 2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(3-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran is c1cc(-c2c3ccccc3c(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)c3cc(-c4ccc5oc6ccccc6c5c4)ccc23)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5cc(-c6ccc7oc8ccccc8c7c6)ccc45)cc3)cccc2c1.c1ccc2c(c1)cc(-c1ccc(-c3c4ccccc4c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4cc(-c5ccc6oc7ccccc7c6c5)ccc34)cc1)c1ccccc12.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5cc(-c6ccc7oc8ccccc8c7c6)ccc45)cc3)ccc2c1.
What is the InChIKey of 2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(3-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran?
The InChIKey is ZJPYKWQROZJKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C66H40O.2C58H36O/c1-3-21-49-45(15-1)39-59(53-25-7-5-23-51(49)53)43-17-13-19-47(35-43)65-56-28-9-10-29-57(56)66(48-20-14-18-44(36-48)60-40-46-16-2-4-22-50(46)52-24-6-8-26-54(52)60)62-38-41(31-33-58(62)65)42-32-34-64-61(37-42)55-27-11-12-30-63(55)67-64;1-3-15-49-47(13-1)39-59(53-19-7-5-17-51(49)53)41-25-29-43(30-26-41)65-56-22-9-10-23-57(56)66(44-31-27-42(28-32-44)60-40-48-14-2-4-16-50(48)52-18-6-8-20-54(52)60)62-38-45(33-35-58(62)65)46-34-36-64-61(37-46)55-21-11-12-24-63(55)67-64;1-3-15-45-37(11-1)13-9-20-47(45)39-23-27-41(28-24-39)57-50-18-5-6-19-51(50)58(42-29-25-40(26-30-42)48-21-10-14-38-12-2-4-16-46(38)48)54-36-43(31-33-52(54)57)44-32-34-56-53(35-44)49-17-7-8-22-55(49)59-56;1-3-11-43-33-45(27-21-37(43)9-1)39-17-23-41(24-18-39)57-50-14-5-6-15-51(50)58(42-25-19-40(20-26-42)46-28-22-38-10-2-4-12-44(38)34-46)54-36-47(29-31-52(54)57)48-30-32-56-53(35-48)49-13-7-8-16-55(49)59-56/h2*1-40H;2*1-36H.
What are the key properties of 2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(3-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran?
2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(3-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran has a molecular weight of 3195.94 g/mol, XLogP of 70.75, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(3-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran is sourced from PubChem (CID 162138593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).