2,9-bis(1,8-dimethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-ethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(1,8,10-trimethylanthracen-9-yl)-1,10-phenanthroline

C170H124N6 — CID 160773571

IUPAC2,9-bis(1,8-dimethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-ethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(1,8,10-trimethylanthracen-9-yl)-1,10-phenanthroline
SMILESCCc1cccc2cc3ccccc3c(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6c7ccccc7cc7cccc(CC)c67)nc5c4n3)c12.Cc1c2cccc(C)c2c(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5c6c(C)cccc6c(C)c6cccc(C)c56)nc4c3n2)c2c(C)cccc12.Cc1cccc2cc3cccc(C)c3c(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6c7c(C)cccc7cc7cccc(C)c67)nc5c4n3)c12
InChIInChI=1S/C58H44N2.2C56H40N2/c1-33-17-13-25-41-37(5)42-26-14-18-34(2)52(42)55(51(33)41)49-31-47(39-21-9-7-10-22-39)45-29-30-46-48(40-23-11-8-12-24-40)32-50(60-58(46)57(45)59-49)56-53-35(3)19-15-27-43(53)38(6)44-28-16-20-36(4)54(44)56;1-33-15-11-23-39-29-40-24-12-16-34(2)50(40)53(49(33)39)47-31-45(37-19-7-5-8-20-37)43-27-28-44-46(38-21-9-6-10-22-38)32-48(58-56(44)55(43)57-47)54-51-35(3)17-13-25-41(51)30-42-26-14-18-36(4)52(42)54;1-3-35-23-15-25-41-31-39-21-11-13-27-43(39)53(51(35)41)49-33-47(37-17-7-5-8-18-37)45-29-30-46-48(38-19-9-6-10-20-38)34-50(58-56(46)55(45)57-49)54-44-28-14-12-22-40(44)32-42-26-16-24-36(4-2)52(42)54/h7-32H,1-6H3;5-32H,1-4H3;5-34H,3-4H2,1-2H3
InChIKeyRZQIRGCIIQGIRG-UHFFFAOYSA-N
MW2250.90 g/mol
LogP46.40
Rot. Bonds14

About 2,9-bis(1,8-dimethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-ethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(1,8,10-trimethylanthracen-9-yl)-1,10-phenanthroline

2,9-bis(1,8-dimethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-ethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(1,8,10-trimethylanthracen-9-yl)-1,10-phenanthroline (PubChem CID 160773571) has the molecular formula C170H124N6 and a molecular weight of 2250.90 g/mol. Its IUPAC name is 2,9-bis(1,8-dimethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-ethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(1,8,10-trimethylanthracen-9-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-bis(1,8-dimethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-ethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(1,8,10-trimethylanthracen-9-yl)-1,10-phenanthroline
PubChem CID160773571
Molecular FormulaC170H124N6
Molecular Weight2250.90 g/mol
Exact Mass2248.99
IUPAC Name2,9-bis(1,8-dimethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-ethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(1,8,10-trimethylanthracen-9-yl)-1,10-phenanthroline
SMILESCCc1cccc2cc3ccccc3c(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6c7ccccc7cc7cccc(CC)c67)nc5c4n3)c12.Cc1c2cccc(C)c2c(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5c6c(C)cccc6c(C)c6cccc(C)c56)nc4c3n2)c2c(C)cccc12.Cc1cccc2cc3cccc(C)c3c(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6c7c(C)cccc7cc7cccc(C)c67)nc5c4n3)c12
InChIInChI=1S/C58H44N2.2C56H40N2/c1-33-17-13-25-41-37(5)42-26-14-18-34(2)52(42)55(51(33)41)49-31-47(39-21-9-7-10-22-39)45-29-30-46-48(40-23-11-8-12-24-40)32-50(60-58(46)57(45)59-49)56-53-35(3)19-15-27-43(53)38(6)44-28-16-20-36(4)54(44)56;1-33-15-11-23-39-29-40-24-12-16-34(2)50(40)53(49(33)39)47-31-45(37-19-7-5-8-20-37)43-27-28-44-46(38-21-9-6-10-22-38)32-48(58-56(44)55(43)57-47)54-51-35(3)17-13-25-41(51)30-42-26-14-18-36(4)52(42)54;1-3-35-23-15-25-41-31-39-21-11-13-27-43(39)53(51(35)41)49-33-47(37-17-7-5-8-18-37)45-29-30-46-48(38-19-9-6-10-20-38)34-50(58-56(46)55(45)57-49)54-44-28-14-12-22-40(44)32-42-26-16-24-36(4-2)52(42)54/h7-32H,1-6H3;5-32H,1-4H3;5-34H,3-4H2,1-2H3
InChIKeyRZQIRGCIIQGIRG-UHFFFAOYSA-N
XLogP46.40
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms176
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002250.90
LogP ≤ 546.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-bis(1,8-dimethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-ethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(1,8,10-trimethylanthracen-9-yl)-1,10-phenanthroline with MolForge

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Related Compounds

2,9-bis(1,8-diethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-ethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-methylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline
CID 159610904
2,9-bis(3-ethyl-2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 23405079
2-(9-methylanthracen-1-yl)-4,7-diphenyl-1,10-phenanthroline
CID 87838728
4,7-diphenyl-2,9-bis(2,3,4-triethylphenyl)-1,10-phenanthroline
CID 23405089
2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 11375703
2,9-bis[(2-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[(8-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(naphthalen-1-ylmethyl)-4,7-diphenyl-1,10-phenanthroline
CID 158665770
4,7-diphenyl-2,9-bis(3,4,5-trimethylphenyl)-1,10-phenanthroline
CID 22972089
2,9-bis(3-ethylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 23405080
2,9-bis(5-ethyl-2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 23405085
2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799
3,5-dimethyl-9-phenylphenanthrene
CID 132535300
2-(2-tert-butylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline
CID 58813351

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(1,8-dimethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-ethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(1,8,10-trimethylanthracen-9-yl)-1,10-phenanthroline?
The IUPAC name of 2,9-bis(1,8-dimethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-ethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(1,8,10-trimethylanthracen-9-yl)-1,10-phenanthroline (CID 160773571) is 2,9-bis(1,8-dimethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-ethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(1,8,10-trimethylanthracen-9-yl)-1,10-phenanthroline.
What is the SMILES notation for 2,9-bis(1,8-dimethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-ethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(1,8,10-trimethylanthracen-9-yl)-1,10-phenanthroline?
The canonical SMILES for 2,9-bis(1,8-dimethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-ethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(1,8,10-trimethylanthracen-9-yl)-1,10-phenanthroline is CCc1cccc2cc3ccccc3c(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6c7ccccc7cc7cccc(CC)c67)nc5c4n3)c12.Cc1c2cccc(C)c2c(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5c6c(C)cccc6c(C)c6cccc(C)c56)nc4c3n2)c2c(C)cccc12.Cc1cccc2cc3cccc(C)c3c(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6c7c(C)cccc7cc7cccc(C)c67)nc5c4n3)c12.
What is the InChIKey of 2,9-bis(1,8-dimethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-ethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(1,8,10-trimethylanthracen-9-yl)-1,10-phenanthroline?
The InChIKey is RZQIRGCIIQGIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2.2C56H40N2/c1-33-17-13-25-41-37(5)42-26-14-18-34(2)52(42)55(51(33)41)49-31-47(39-21-9-7-10-22-39)45-29-30-46-48(40-23-11-8-12-24-40)32-50(60-58(46)57(45)59-49)56-53-35(3)19-15-27-43(53)38(6)44-28-16-20-36(4)54(44)56;1-33-15-11-23-39-29-40-24-12-16-34(2)50(40)53(49(33)39)47-31-45(37-19-7-5-8-20-37)43-27-28-44-46(38-21-9-6-10-22-38)32-48(58-56(44)55(43)57-47)54-51-35(3)17-13-25-41(51)30-42-26-14-18-36(4)52(42)54;1-3-35-23-15-25-41-31-39-21-11-13-27-43(39)53(51(35)41)49-33-47(37-17-7-5-8-18-37)45-29-30-46-48(38-19-9-6-10-20-38)34-50(58-56(46)55(45)57-49)54-44-28-14-12-22-40(44)32-42-26-16-24-36(4-2)52(42)54/h7-32H,1-6H3;5-32H,1-4H3;5-34H,3-4H2,1-2H3.
What are the key properties of 2,9-bis(1,8-dimethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-ethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(1,8,10-trimethylanthracen-9-yl)-1,10-phenanthroline?
2,9-bis(1,8-dimethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-ethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(1,8,10-trimethylanthracen-9-yl)-1,10-phenanthroline has a molecular weight of 2250.90 g/mol, XLogP of 46.40, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(1,8-dimethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-ethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(1,8,10-trimethylanthracen-9-yl)-1,10-phenanthroline is sourced from PubChem (CID 160773571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).