2,9-bis[1-(2,8-dimethylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(2-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(8-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-naphthalen-1-ylethyl)-4,7-diphenyl-1,10-phenanthroline

C200H160N8 — CID 159395187

IUPAC2,9-bis[1-(2,8-dimethylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(2-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(8-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-naphthalen-1-ylethyl)-4,7-diphenyl-1,10-phenanthroline
SMILESCC(c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C(C)c4cccc5ccccc45)nc3c2n1)c1cccc2ccccc12.Cc1ccc2cccc(C)c2c1C(C)c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C(C)c4c(C)ccc5cccc(C)c45)nc3c2n1.Cc1ccc2ccccc2c1C(C)c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C(C)c4c(C)ccc5ccccc45)nc3c2n1.Cc1cccc2cccc(C(C)c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(C(C)c6cccc7cccc(C)c67)nc5c4n3)c12
InChIInChI=1S/C52H44N2.2C50H40N2.C48H36N2/c1-31-15-13-21-39-25-23-33(3)47(49(31)39)35(5)45-29-43(37-17-9-7-10-18-37)41-27-28-42-44(38-19-11-8-12-20-38)30-46(54-52(42)51(41)53-45)36(6)48-34(4)24-26-40-22-14-16-32(2)50(40)48;1-31-15-11-21-37-23-13-25-39(47(31)37)33(3)45-29-43(35-17-7-5-8-18-35)41-27-28-42-44(36-19-9-6-10-20-36)30-46(52-50(42)49(41)51-45)34(4)40-26-14-24-38-22-12-16-32(2)48(38)40;1-31-23-25-37-19-11-13-21-39(37)47(31)33(3)45-29-43(35-15-7-5-8-16-35)41-27-28-42-44(36-17-9-6-10-18-36)30-46(52-50(42)49(41)51-45)34(4)48-32(2)24-26-38-20-12-14-22-40(38)48;1-31(37-25-13-21-33-19-9-11-23-39(33)37)45-29-43(35-15-5-3-6-16-35)41-27-28-42-44(36-17-7-4-8-18-36)30-46(50-48(42)47(41)49-45)32(2)38-26-14-22-34-20-10-12-24-40(34)38/h7-30,35-36H,1-6H3;2*5-30,33-34H,1-4H3;3-32H,1-2H3
InChIKeyLMPSKEGOFUIRDT-UHFFFAOYSA-N
MW2675.54 g/mol
LogP53.38
Rot. Bonds24

About 2,9-bis[1-(2,8-dimethylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(2-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(8-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-naphthalen-1-ylethyl)-4,7-diphenyl-1,10-phenanthroline

2,9-bis[1-(2,8-dimethylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(2-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(8-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-naphthalen-1-ylethyl)-4,7-diphenyl-1,10-phenanthroline (PubChem CID 159395187) has the molecular formula C200H160N8 and a molecular weight of 2675.54 g/mol. Its IUPAC name is 2,9-bis[1-(2,8-dimethylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(2-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(8-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-naphthalen-1-ylethyl)-4,7-diphenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-bis[1-(2,8-dimethylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(2-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(8-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-naphthalen-1-ylethyl)-4,7-diphenyl-1,10-phenanthroline
PubChem CID159395187
Molecular FormulaC200H160N8
Molecular Weight2675.54 g/mol
Exact Mass2673.28
IUPAC Name2,9-bis[1-(2,8-dimethylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(2-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(8-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-naphthalen-1-ylethyl)-4,7-diphenyl-1,10-phenanthroline
SMILESCC(c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C(C)c4cccc5ccccc45)nc3c2n1)c1cccc2ccccc12.Cc1ccc2cccc(C)c2c1C(C)c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C(C)c4c(C)ccc5cccc(C)c45)nc3c2n1.Cc1ccc2ccccc2c1C(C)c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C(C)c4c(C)ccc5ccccc45)nc3c2n1.Cc1cccc2cccc(C(C)c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(C(C)c6cccc7cccc(C)c67)nc5c4n3)c12
InChIInChI=1S/C52H44N2.2C50H40N2.C48H36N2/c1-31-15-13-21-39-25-23-33(3)47(49(31)39)35(5)45-29-43(37-17-9-7-10-18-37)41-27-28-42-44(38-19-11-8-12-20-38)30-46(54-52(42)51(41)53-45)36(6)48-34(4)24-26-40-22-14-16-32(2)50(40)48;1-31-15-11-21-37-23-13-25-39(47(31)37)33(3)45-29-43(35-17-7-5-8-18-35)41-27-28-42-44(36-19-9-6-10-20-36)30-46(52-50(42)49(41)51-45)34(4)40-26-14-24-38-22-12-16-32(2)48(38)40;1-31-23-25-37-19-11-13-21-39(37)47(31)33(3)45-29-43(35-15-7-5-8-16-35)41-27-28-42-44(36-17-9-6-10-18-36)30-46(52-50(42)49(41)51-45)34(4)48-32(2)24-26-38-20-12-14-22-40(38)48;1-31(37-25-13-21-33-19-9-11-23-39(33)37)45-29-43(35-15-5-3-6-16-35)41-27-28-42-44(36-17-7-4-8-18-36)30-46(50-48(42)47(41)49-45)32(2)38-26-14-22-34-20-10-12-24-40(34)38/h7-30,35-36H,1-6H3;2*5-30,33-34H,1-4H3;3-32H,1-2H3
InChIKeyLMPSKEGOFUIRDT-UHFFFAOYSA-N
XLogP53.38
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms208
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002675.54
LogP ≤ 553.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2,9-bis[1-(2,8-dimethylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(2-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(8-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-naphthalen-1-ylethyl)-4,7-diphenyl-1,10-phenanthroline with MolForge

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Related Compounds

2,9-bis[2-(2,8-dimethylnaphthalen-1-yl)propan-2-yl]-4,7-diphenyl-1,10-phenanthroline
CID 22971987
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
5-[3-(4-phenylnaphthalen-1-yl)phenyl]-2,9-di(propan-2-yl)-1,10-phenanthroline
CID 171419209
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
3,5-dimethyl-9-phenylphenanthrene
CID 132535300
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 11375703
2,9-bis[1-(1-methyl-9,10-dihydroanthracen-9-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline
CID 23405066
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(5-ethyl-2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 23405085
1-methylbenzo[a]anthracene;5-methylchrysene;4-methylphenanthrene;1-methyl-2-phenylbenzene
CID 162099603
2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol
CID 81432516

Frequently Asked Questions

What is the IUPAC name of 2,9-bis[1-(2,8-dimethylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(2-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(8-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-naphthalen-1-ylethyl)-4,7-diphenyl-1,10-phenanthroline?
The IUPAC name of 2,9-bis[1-(2,8-dimethylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(2-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(8-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-naphthalen-1-ylethyl)-4,7-diphenyl-1,10-phenanthroline (CID 159395187) is 2,9-bis[1-(2,8-dimethylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(2-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(8-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-naphthalen-1-ylethyl)-4,7-diphenyl-1,10-phenanthroline.
What is the SMILES notation for 2,9-bis[1-(2,8-dimethylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(2-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(8-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-naphthalen-1-ylethyl)-4,7-diphenyl-1,10-phenanthroline?
The canonical SMILES for 2,9-bis[1-(2,8-dimethylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(2-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(8-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-naphthalen-1-ylethyl)-4,7-diphenyl-1,10-phenanthroline is CC(c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C(C)c4cccc5ccccc45)nc3c2n1)c1cccc2ccccc12.Cc1ccc2cccc(C)c2c1C(C)c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C(C)c4c(C)ccc5cccc(C)c45)nc3c2n1.Cc1ccc2ccccc2c1C(C)c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C(C)c4c(C)ccc5ccccc45)nc3c2n1.Cc1cccc2cccc(C(C)c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(C(C)c6cccc7cccc(C)c67)nc5c4n3)c12.
What is the InChIKey of 2,9-bis[1-(2,8-dimethylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(2-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(8-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-naphthalen-1-ylethyl)-4,7-diphenyl-1,10-phenanthroline?
The InChIKey is LMPSKEGOFUIRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44N2.2C50H40N2.C48H36N2/c1-31-15-13-21-39-25-23-33(3)47(49(31)39)35(5)45-29-43(37-17-9-7-10-18-37)41-27-28-42-44(38-19-11-8-12-20-38)30-46(54-52(42)51(41)53-45)36(6)48-34(4)24-26-40-22-14-16-32(2)50(40)48;1-31-15-11-21-37-23-13-25-39(47(31)37)33(3)45-29-43(35-17-7-5-8-18-35)41-27-28-42-44(36-19-9-6-10-20-36)30-46(52-50(42)49(41)51-45)34(4)40-26-14-24-38-22-12-16-32(2)48(38)40;1-31-23-25-37-19-11-13-21-39(37)47(31)33(3)45-29-43(35-15-7-5-8-16-35)41-27-28-42-44(36-17-9-6-10-18-36)30-46(52-50(42)49(41)51-45)34(4)48-32(2)24-26-38-20-12-14-22-40(38)48;1-31(37-25-13-21-33-19-9-11-23-39(33)37)45-29-43(35-15-5-3-6-16-35)41-27-28-42-44(36-17-7-4-8-18-36)30-46(50-48(42)47(41)49-45)32(2)38-26-14-22-34-20-10-12-24-40(34)38/h7-30,35-36H,1-6H3;2*5-30,33-34H,1-4H3;3-32H,1-2H3.
What are the key properties of 2,9-bis[1-(2,8-dimethylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(2-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(8-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-naphthalen-1-ylethyl)-4,7-diphenyl-1,10-phenanthroline?
2,9-bis[1-(2,8-dimethylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(2-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(8-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-naphthalen-1-ylethyl)-4,7-diphenyl-1,10-phenanthroline has a molecular weight of 2675.54 g/mol, XLogP of 53.38, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis[1-(2,8-dimethylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(2-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(8-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-naphthalen-1-ylethyl)-4,7-diphenyl-1,10-phenanthroline is sourced from PubChem (CID 159395187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).