2-chrysen-6-yl-8-(6-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-chrysen-6-yl-8-(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran;2-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran

C212H124O4 — CID 159150176

IUPAC2-chrysen-6-yl-8-(6-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-chrysen-6-yl-8-(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran;2-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc5cc(-c6ccc7oc8ccc(-c9ccc%10ccccc%10c9)cc8c7c6)ccc5c4)ccc-2c13.c1ccc2c(c1)-c1cccc3c(-c4ccc5ccc(-c6ccc7oc8ccc(-c9ccc%10ccccc%10c9)cc8c7c6)cc5c4)ccc-2c13.c1ccc2c(c1)ccc1c3ccccc3c(-c3ccc4cc(-c5ccc6oc7ccc(-c8cc9c%10ccccc%10ccc9c9ccccc89)cc7c6c5)ccc4c3)cc21.c1ccc2c(c1)ccc1c3ccccc3c(-c3ccc4ccc(-c5ccc6oc7ccc(-c8cc9c%10ccccc%10ccc9c9ccccc89)cc7c6c5)cc4c3)cc21
InChIInChI=1S/2C58H34O.2C48H28O/c1-3-11-43-36(9-1)21-25-49-45-13-5-7-15-47(45)51(33-53(43)49)40-20-18-35-17-19-38(29-42(35)30-40)39-23-27-57-55(31-39)56-32-41(24-28-58(56)59-57)52-34-54-44-12-4-2-10-37(44)22-26-50(54)46-14-6-8-16-48(46)52;1-3-11-43-35(9-1)21-25-49-45-13-5-7-15-47(45)51(33-53(43)49)41-20-19-37-29-38(17-18-39(37)30-41)40-23-27-57-55(31-40)56-32-42(24-28-58(56)59-57)52-34-54-44-12-4-2-10-36(44)22-26-50(54)46-14-6-8-16-48(46)52;1-2-7-31-24-32(15-12-29(31)6-1)34-18-22-46-44(27-34)45-28-35(19-23-47(45)49-46)33-16-13-30-14-17-36(26-37(30)25-33)38-20-21-43-40-9-4-3-8-39(40)42-11-5-10-41(38)48(42)43;1-2-7-30-24-32(13-12-29(30)6-1)35-18-22-46-44(27-35)45-28-36(19-23-47(45)49-46)33-14-15-34-26-37(17-16-31(34)25-33)38-20-21-43-40-9-4-3-8-39(40)42-11-5-10-41(38)48(42)43/h2*1-34H;2*1-28H
InChIKeyKJEFMUAREBVXDF-UHFFFAOYSA-N
MW2735.32 g/mol
LogP60.71
Rot. Bonds12

About 2-chrysen-6-yl-8-(6-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-chrysen-6-yl-8-(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran;2-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran

2-chrysen-6-yl-8-(6-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-chrysen-6-yl-8-(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran;2-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran (PubChem CID 159150176) has the molecular formula C212H124O4 and a molecular weight of 2735.32 g/mol. Its IUPAC name is 2-chrysen-6-yl-8-(6-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-chrysen-6-yl-8-(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran;2-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran.

Molecular Properties

Compound Name2-chrysen-6-yl-8-(6-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-chrysen-6-yl-8-(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran;2-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran
PubChem CID159150176
Molecular FormulaC212H124O4
Molecular Weight2735.32 g/mol
Exact Mass2732.95
IUPAC Name2-chrysen-6-yl-8-(6-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-chrysen-6-yl-8-(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran;2-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc5cc(-c6ccc7oc8ccc(-c9ccc%10ccccc%10c9)cc8c7c6)ccc5c4)ccc-2c13.c1ccc2c(c1)-c1cccc3c(-c4ccc5ccc(-c6ccc7oc8ccc(-c9ccc%10ccccc%10c9)cc8c7c6)cc5c4)ccc-2c13.c1ccc2c(c1)ccc1c3ccccc3c(-c3ccc4cc(-c5ccc6oc7ccc(-c8cc9c%10ccccc%10ccc9c9ccccc89)cc7c6c5)ccc4c3)cc21.c1ccc2c(c1)ccc1c3ccccc3c(-c3ccc4ccc(-c5ccc6oc7ccc(-c8cc9c%10ccccc%10ccc9c9ccccc89)cc7c6c5)cc4c3)cc21
InChIInChI=1S/2C58H34O.2C48H28O/c1-3-11-43-36(9-1)21-25-49-45-13-5-7-15-47(45)51(33-53(43)49)40-20-18-35-17-19-38(29-42(35)30-40)39-23-27-57-55(31-39)56-32-41(24-28-58(56)59-57)52-34-54-44-12-4-2-10-37(44)22-26-50(54)46-14-6-8-16-48(46)52;1-3-11-43-35(9-1)21-25-49-45-13-5-7-15-47(45)51(33-53(43)49)41-20-19-37-29-38(17-18-39(37)30-41)40-23-27-57-55(31-40)56-32-42(24-28-58(56)59-57)52-34-54-44-12-4-2-10-36(44)22-26-50(54)46-14-6-8-16-48(46)52;1-2-7-31-24-32(15-12-29(31)6-1)34-18-22-46-44(27-34)45-28-35(19-23-47(45)49-46)33-16-13-30-14-17-36(26-37(30)25-33)38-20-21-43-40-9-4-3-8-39(40)42-11-5-10-41(38)48(42)43;1-2-7-30-24-32(13-12-29(30)6-1)35-18-22-46-44(27-35)45-28-36(19-23-47(45)49-46)33-14-15-34-26-37(17-16-31(34)25-33)38-20-21-43-40-9-4-3-8-39(40)42-11-5-10-41(38)48(42)43/h2*1-34H;2*1-28H
InChIKeyKJEFMUAREBVXDF-UHFFFAOYSA-N
XLogP60.71
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms216
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002735.32
LogP ≤ 560.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chrysen-6-yl-8-(6-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-chrysen-6-yl-8-(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran;2-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran with MolForge

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Related Compounds

6,18-bis(7-naphthalen-2-ylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(3-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(4-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(chrysen-5-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(fluoranthen-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(3-phenanthren-9-ylphenyl)-18-(6-phenylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 158602274
8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran
CID 129100711
2,8-di(chrysen-6-yl)dibenzofuran
CID 87692920
7,16-bis(3-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(4-naphthalen-2-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(chrysen-5-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-di(fluoranthen-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-naphthalen-2-yl-16-(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7-(3-phenanthren-9-ylphenyl)-16-(6-phenylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene
CID 159209602
2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-1-yldibenzofuran
CID 58194464
3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
CID 58544598
3,7-bis(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran
CID 58569301
3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene
CID 123939461
2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran
CID 129100575
6-fluoranthen-3-yl-2-phenanthren-3-yldibenzofuran
CID 129100164
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105

Frequently Asked Questions

What is the IUPAC name of 2-chrysen-6-yl-8-(6-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-chrysen-6-yl-8-(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran;2-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran?
The IUPAC name of 2-chrysen-6-yl-8-(6-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-chrysen-6-yl-8-(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran;2-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran (CID 159150176) is 2-chrysen-6-yl-8-(6-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-chrysen-6-yl-8-(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran;2-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran.
What is the SMILES notation for 2-chrysen-6-yl-8-(6-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-chrysen-6-yl-8-(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran;2-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran?
The canonical SMILES for 2-chrysen-6-yl-8-(6-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-chrysen-6-yl-8-(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran;2-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran is c1ccc2c(c1)-c1cccc3c(-c4ccc5cc(-c6ccc7oc8ccc(-c9ccc%10ccccc%10c9)cc8c7c6)ccc5c4)ccc-2c13.c1ccc2c(c1)-c1cccc3c(-c4ccc5ccc(-c6ccc7oc8ccc(-c9ccc%10ccccc%10c9)cc8c7c6)cc5c4)ccc-2c13.c1ccc2c(c1)ccc1c3ccccc3c(-c3ccc4cc(-c5ccc6oc7ccc(-c8cc9c%10ccccc%10ccc9c9ccccc89)cc7c6c5)ccc4c3)cc21.c1ccc2c(c1)ccc1c3ccccc3c(-c3ccc4ccc(-c5ccc6oc7ccc(-c8cc9c%10ccccc%10ccc9c9ccccc89)cc7c6c5)cc4c3)cc21.
What is the InChIKey of 2-chrysen-6-yl-8-(6-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-chrysen-6-yl-8-(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran;2-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran?
The InChIKey is KJEFMUAREBVXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H34O.2C48H28O/c1-3-11-43-36(9-1)21-25-49-45-13-5-7-15-47(45)51(33-53(43)49)40-20-18-35-17-19-38(29-42(35)30-40)39-23-27-57-55(31-39)56-32-41(24-28-58(56)59-57)52-34-54-44-12-4-2-10-37(44)22-26-50(54)46-14-6-8-16-48(46)52;1-3-11-43-35(9-1)21-25-49-45-13-5-7-15-47(45)51(33-53(43)49)41-20-19-37-29-38(17-18-39(37)30-41)40-23-27-57-55(31-40)56-32-42(24-28-58(56)59-57)52-34-54-44-12-4-2-10-36(44)22-26-50(54)46-14-6-8-16-48(46)52;1-2-7-31-24-32(15-12-29(31)6-1)34-18-22-46-44(27-34)45-28-35(19-23-47(45)49-46)33-16-13-30-14-17-36(26-37(30)25-33)38-20-21-43-40-9-4-3-8-39(40)42-11-5-10-41(38)48(42)43;1-2-7-30-24-32(13-12-29(30)6-1)35-18-22-46-44(27-35)45-28-36(19-23-47(45)49-46)33-14-15-34-26-37(17-16-31(34)25-33)38-20-21-43-40-9-4-3-8-39(40)42-11-5-10-41(38)48(42)43/h2*1-34H;2*1-28H.
What are the key properties of 2-chrysen-6-yl-8-(6-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-chrysen-6-yl-8-(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran;2-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran?
2-chrysen-6-yl-8-(6-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-chrysen-6-yl-8-(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran;2-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran has a molecular weight of 2735.32 g/mol, XLogP of 60.71, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chrysen-6-yl-8-(6-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-chrysen-6-yl-8-(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran;2-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran is sourced from PubChem (CID 159150176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).