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

C170H124N6 — CID 159610904

IUPAC2,9-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
SMILESCCc1cccc2cc3cccc(CC)c3c(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6c7c(CC)cccc7cc7cccc(CC)c67)nc5c4n3)c12.CCc1cccc2cc3ccccc3c(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6c7ccccc7cc7cccc(CC)c67)nc5c4n3)c12.Cc1cccc2cc3ccccc3c(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6c7ccccc7cc7cccc(C)c67)nc5c4n3)c12
InChIInChI=1S/C60H48N2.C56H40N2.C54H36N2/c1-5-37-23-15-27-43-33-44-28-16-24-38(6-2)54(44)57(53(37)43)51-35-49(41-19-11-9-12-20-41)47-31-32-48-50(42-21-13-10-14-22-42)36-52(62-60(48)59(47)61-51)58-55-39(7-3)25-17-29-45(55)34-46-30-18-26-40(8-4)56(46)58;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;1-33-15-13-23-39-29-37-21-9-11-25-41(37)51(49(33)39)47-31-45(35-17-5-3-6-18-35)43-27-28-44-46(36-19-7-4-8-20-36)32-48(56-54(44)53(43)55-47)52-42-26-12-10-22-38(42)30-40-24-14-16-34(2)50(40)52/h9-36H,5-8H2,1-4H3;5-34H,3-4H2,1-2H3;3-32H,1-2H3
InChIKeyMMRGIJCMEVJLKP-UHFFFAOYSA-N
MW2250.90 g/mol
LogP46.18
Rot. Bonds18

About 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

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 (PubChem CID 159610904) has the molecular formula C170H124N6 and a molecular weight of 2250.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,9-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
PubChem CID159610904
Molecular FormulaC170H124N6
Molecular Weight2250.90 g/mol
Exact Mass2248.99
IUPAC Name2,9-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
SMILESCCc1cccc2cc3cccc(CC)c3c(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6c7c(CC)cccc7cc7cccc(CC)c67)nc5c4n3)c12.CCc1cccc2cc3ccccc3c(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6c7ccccc7cc7cccc(CC)c67)nc5c4n3)c12.Cc1cccc2cc3ccccc3c(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6c7ccccc7cc7cccc(C)c67)nc5c4n3)c12
InChIInChI=1S/C60H48N2.C56H40N2.C54H36N2/c1-5-37-23-15-27-43-33-44-28-16-24-38(6-2)54(44)57(53(37)43)51-35-49(41-19-11-9-12-20-41)47-31-32-48-50(42-21-13-10-14-22-42)36-52(62-60(48)59(47)61-51)58-55-39(7-3)25-17-29-45(55)34-46-30-18-26-40(8-4)56(46)58;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;1-33-15-13-23-39-29-37-21-9-11-25-41(37)51(49(33)39)47-31-45(35-17-5-3-6-18-35)43-27-28-44-46(36-19-7-4-8-20-36)32-48(56-54(44)53(43)55-47)52-42-26-12-10-22-38(42)30-40-24-14-16-34(2)50(40)52/h9-36H,5-8H2,1-4H3;5-34H,3-4H2,1-2H3;3-32H,1-2H3
InChIKeyMMRGIJCMEVJLKP-UHFFFAOYSA-N
XLogP46.18
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms176
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002250.90
LogP ≤ 546.18
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-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 with MolForge

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Related Compounds

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
2,9-bis(3-ethyl-2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 23405079
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(3-ethylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 23405080
2-(9-methylanthracen-1-yl)-4,7-diphenyl-1,10-phenanthroline
CID 87838728
2,9-bis(5-ethyl-2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 23405085
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
2,4,7,9-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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cccc2cc3cccc(CC)c3c(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6c7c(CC)cccc7cc7cccc(CC)c67)nc5c4n3)c12.CCc1cccc2cc3ccccc3c(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6c7ccccc7cc7cccc(CC)c67)nc5c4n3)c12.Cc1cccc2cc3ccccc3c(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6c7ccccc7cc7cccc(C)c67)nc5c4n3)c12.
What is the InChIKey of 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?
The InChIKey is MMRGIJCMEVJLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N2.C56H40N2.C54H36N2/c1-5-37-23-15-27-43-33-44-28-16-24-38(6-2)54(44)57(53(37)43)51-35-49(41-19-11-9-12-20-41)47-31-32-48-50(42-21-13-10-14-22-42)36-52(62-60(48)59(47)61-51)58-55-39(7-3)25-17-29-45(55)34-46-30-18-26-40(8-4)56(46)58;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;1-33-15-13-23-39-29-37-21-9-11-25-41(37)51(49(33)39)47-31-45(35-17-5-3-6-18-35)43-27-28-44-46(36-19-7-4-8-20-36)32-48(56-54(44)53(43)55-47)52-42-26-12-10-22-38(42)30-40-24-14-16-34(2)50(40)52/h9-36H,5-8H2,1-4H3;5-34H,3-4H2,1-2H3;3-32H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2250.90 g/mol, XLogP of 46.18, 18 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-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 is sourced from PubChem (CID 159610904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).