2-dibenzofuran-2-yl-9-[4-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[4-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-2-yl-9-[3-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[3-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline

C236H132N16O8 — CID 157423720

IUPAC2-dibenzofuran-2-yl-9-[4-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[4-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-2-yl-9-[3-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[3-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)nc3c2ccc2ccc(-c4cccc(-c5ccc6ccc7ccc(-c8ccc9oc%10ccccc%10c9c8)nc7c6n5)c4)nc23)cc1.c1ccc(-c2cc(-c3cccc4c3oc3ccccc34)nc3c2ccc2ccc(-c4cccc(-c5ccc6ccc7ccc(-c8cccc9c8oc8ccccc89)nc7c6n5)c4)nc23)cc1.c1ccc2c(c1)oc1c(-c3ccc4ccc5ccc(-c6ccc(-c7ccc8ccc9ccc(-c%10cccc%11c%10oc%10ccccc%10%11)nc9c8n7)c7ccccc67)nc5c4n3)cccc12.c1ccc2c(c1)oc1ccc(-c3ccc4ccc5ccc(-c6ccc(-c7ccc8ccc9ccc(-c%10ccc%11oc%12ccccc%12c%11c%10)nc9c8n7)c7ccccc67)nc5c4n3)cc12
InChIInChI=1S/2C60H34N4O2.2C58H32N4O2/c1-2-11-35(12-3-1)48-34-52(47-20-10-18-45-42-16-5-7-22-54(42)66-60(45)47)64-58-43(48)29-25-38-27-31-50(62-57(38)58)40-14-8-13-39(33-40)49-30-26-36-23-24-37-28-32-51(63-56(37)55(36)61-49)46-19-9-17-44-41-15-4-6-21-53(41)65-59(44)46;1-2-9-35(10-3-1)46-34-52(42-24-30-56-48(33-42)44-14-5-7-16-54(44)66-56)64-60-45(46)25-19-38-22-27-50(63-59(38)60)40-12-8-11-39(31-40)49-26-20-36-17-18-37-21-28-51(62-58(37)57(36)61-49)41-23-29-55-47(32-41)43-13-4-6-15-53(43)65-55;1-2-10-38-37(9-1)39(47-29-23-33-19-21-35-25-31-49(61-55(35)53(33)59-47)45-15-7-13-43-41-11-3-5-17-51(41)63-57(43)45)27-28-40(38)48-30-24-34-20-22-36-26-32-50(62-56(36)54(34)60-48)46-16-8-14-44-42-12-4-6-18-52(42)64-58(44)46;1-2-8-40-39(7-1)41(49-27-19-35-15-13-33-17-25-47(59-55(33)57(35)61-49)37-21-29-53-45(31-37)43-9-3-5-11-51(43)63-53)23-24-42(40)50-28-20-36-16-14-34-18-26-48(60-56(34)58(36)62-50)38-22-30-54-46(32-38)44-10-4-6-12-52(44)64-54/h2*1-34H;2*1-32H
InChIKeyBPSGEKIVUPZQFH-UHFFFAOYSA-N
MW3319.76 g/mol
LogP63.03
Rot. Bonds18

About 2-dibenzofuran-2-yl-9-[4-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[4-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-2-yl-9-[3-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[3-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline

2-dibenzofuran-2-yl-9-[4-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[4-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-2-yl-9-[3-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[3-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline (PubChem CID 157423720) has the molecular formula C236H132N16O8 and a molecular weight of 3319.76 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-9-[4-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[4-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-2-yl-9-[3-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[3-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-9-[4-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[4-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-2-yl-9-[3-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[3-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline
PubChem CID157423720
Molecular FormulaC236H132N16O8
Molecular Weight3319.76 g/mol
Exact Mass3317.04
IUPAC Name2-dibenzofuran-2-yl-9-[4-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[4-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-2-yl-9-[3-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[3-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)nc3c2ccc2ccc(-c4cccc(-c5ccc6ccc7ccc(-c8ccc9oc%10ccccc%10c9c8)nc7c6n5)c4)nc23)cc1.c1ccc(-c2cc(-c3cccc4c3oc3ccccc34)nc3c2ccc2ccc(-c4cccc(-c5ccc6ccc7ccc(-c8cccc9c8oc8ccccc89)nc7c6n5)c4)nc23)cc1.c1ccc2c(c1)oc1c(-c3ccc4ccc5ccc(-c6ccc(-c7ccc8ccc9ccc(-c%10cccc%11c%10oc%10ccccc%10%11)nc9c8n7)c7ccccc67)nc5c4n3)cccc12.c1ccc2c(c1)oc1ccc(-c3ccc4ccc5ccc(-c6ccc(-c7ccc8ccc9ccc(-c%10ccc%11oc%12ccccc%12c%11c%10)nc9c8n7)c7ccccc67)nc5c4n3)cc12
InChIInChI=1S/2C60H34N4O2.2C58H32N4O2/c1-2-11-35(12-3-1)48-34-52(47-20-10-18-45-42-16-5-7-22-54(42)66-60(45)47)64-58-43(48)29-25-38-27-31-50(62-57(38)58)40-14-8-13-39(33-40)49-30-26-36-23-24-37-28-32-51(63-56(37)55(36)61-49)46-19-9-17-44-41-15-4-6-21-53(41)65-59(44)46;1-2-9-35(10-3-1)46-34-52(42-24-30-56-48(33-42)44-14-5-7-16-54(44)66-56)64-60-45(46)25-19-38-22-27-50(63-59(38)60)40-12-8-11-39(31-40)49-26-20-36-17-18-37-21-28-51(62-58(37)57(36)61-49)41-23-29-55-47(32-41)43-13-4-6-15-53(43)65-55;1-2-10-38-37(9-1)39(47-29-23-33-19-21-35-25-31-49(61-55(35)53(33)59-47)45-15-7-13-43-41-11-3-5-17-51(41)63-57(43)45)27-28-40(38)48-30-24-34-20-22-36-26-32-50(62-56(36)54(34)60-48)46-16-8-14-44-42-12-4-6-18-52(42)64-58(44)46;1-2-8-40-39(7-1)41(49-27-19-35-15-13-33-17-25-47(59-55(33)57(35)61-49)37-21-29-53-45(31-37)43-9-3-5-11-51(43)63-53)23-24-42(40)50-28-20-36-16-14-34-18-26-48(60-56(34)58(36)62-50)38-22-30-54-46(32-38)44-10-4-6-12-52(44)64-54/h2*1-34H;2*1-32H
InChIKeyBPSGEKIVUPZQFH-UHFFFAOYSA-N
XLogP63.03
TPSA311.36 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003319.76
LogP ≤ 563.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-dibenzofuran-2-yl-9-[4-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[4-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-2-yl-9-[3-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[3-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-9-[4-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[4-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-2-yl-9-[3-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[3-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline?
The IUPAC name of 2-dibenzofuran-2-yl-9-[4-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[4-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-2-yl-9-[3-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[3-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline (CID 157423720) is 2-dibenzofuran-2-yl-9-[4-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[4-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-2-yl-9-[3-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[3-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline.
What is the SMILES notation for 2-dibenzofuran-2-yl-9-[4-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[4-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-2-yl-9-[3-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[3-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline?
The canonical SMILES for 2-dibenzofuran-2-yl-9-[4-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[4-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-2-yl-9-[3-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[3-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline is c1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)nc3c2ccc2ccc(-c4cccc(-c5ccc6ccc7ccc(-c8ccc9oc%10ccccc%10c9c8)nc7c6n5)c4)nc23)cc1.c1ccc(-c2cc(-c3cccc4c3oc3ccccc34)nc3c2ccc2ccc(-c4cccc(-c5ccc6ccc7ccc(-c8cccc9c8oc8ccccc89)nc7c6n5)c4)nc23)cc1.c1ccc2c(c1)oc1c(-c3ccc4ccc5ccc(-c6ccc(-c7ccc8ccc9ccc(-c%10cccc%11c%10oc%10ccccc%10%11)nc9c8n7)c7ccccc67)nc5c4n3)cccc12.c1ccc2c(c1)oc1ccc(-c3ccc4ccc5ccc(-c6ccc(-c7ccc8ccc9ccc(-c%10ccc%11oc%12ccccc%12c%11c%10)nc9c8n7)c7ccccc67)nc5c4n3)cc12.
What is the InChIKey of 2-dibenzofuran-2-yl-9-[4-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[4-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-2-yl-9-[3-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[3-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline?
The InChIKey is BPSGEKIVUPZQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H34N4O2.2C58H32N4O2/c1-2-11-35(12-3-1)48-34-52(47-20-10-18-45-42-16-5-7-22-54(42)66-60(45)47)64-58-43(48)29-25-38-27-31-50(62-57(38)58)40-14-8-13-39(33-40)49-30-26-36-23-24-37-28-32-51(63-56(37)55(36)61-49)46-19-9-17-44-41-15-4-6-21-53(41)65-59(44)46;1-2-9-35(10-3-1)46-34-52(42-24-30-56-48(33-42)44-14-5-7-16-54(44)66-56)64-60-45(46)25-19-38-22-27-50(63-59(38)60)40-12-8-11-39(31-40)49-26-20-36-17-18-37-21-28-51(62-58(37)57(36)61-49)41-23-29-55-47(32-41)43-13-4-6-15-53(43)65-55;1-2-10-38-37(9-1)39(47-29-23-33-19-21-35-25-31-49(61-55(35)53(33)59-47)45-15-7-13-43-41-11-3-5-17-51(41)63-57(43)45)27-28-40(38)48-30-24-34-20-22-36-26-32-50(62-56(36)54(34)60-48)46-16-8-14-44-42-12-4-6-18-52(42)64-58(44)46;1-2-8-40-39(7-1)41(49-27-19-35-15-13-33-17-25-47(59-55(33)57(35)61-49)37-21-29-53-45(31-37)43-9-3-5-11-51(43)63-53)23-24-42(40)50-28-20-36-16-14-34-18-26-48(60-56(34)58(36)62-50)38-22-30-54-46(32-38)44-10-4-6-12-52(44)64-54/h2*1-34H;2*1-32H.
What are the key properties of 2-dibenzofuran-2-yl-9-[4-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[4-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-2-yl-9-[3-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[3-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline?
2-dibenzofuran-2-yl-9-[4-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[4-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-2-yl-9-[3-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[3-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline has a molecular weight of 3319.76 g/mol, XLogP of 63.03, 18 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-9-[4-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[4-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline;2-dibenzofuran-2-yl-9-[3-(9-dibenzofuran-2-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline;2-dibenzofuran-4-yl-9-[3-(9-dibenzofuran-4-yl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline is sourced from PubChem (CID 157423720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).