4,7-bis(3,5-dimethylphenyl)-1,10-phenanthroline;4,7-bis(3-methylphenyl)-1,10-phenanthroline;4,7-bis(4-phenylphenyl)-1,10-phenanthroline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne

C241H130N12 — CID 160937726

IUPAC4,7-bis(3,5-dimethylphenyl)-1,10-phenanthroline;4,7-bis(3-methylphenyl)-1,10-phenanthroline;4,7-bis(4-phenylphenyl)-1,10-phenanthroline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C)nc3c2n1.Cc1cc(-c2ccccc2)nc2c1ccc1c(C)cc(-c3ccccc3)nc12.Cc1cc(C)cc(-c2ccnc3c2ccc2c(-c4cc(C)cc(C)c4)ccnc23)c1.Cc1cccc(-c2ccnc3c2ccc2c(-c4cccc(C)c4)ccnc23)c1.c1ccc(-c2ccc(-c3ccnc4c3ccc3c(-c5ccc(-c6ccccc6)cc5)ccnc34)cc2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C38H2.C37H4.C36H24N2.C28H24N2.3C26H20N2.C24H16N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-7-25(8-4-1)27-11-15-29(16-12-27)31-21-23-37-35-33(31)19-20-34-32(22-24-38-36(34)35)30-17-13-28(14-18-30)26-9-5-2-6-10-26;1-17-11-18(2)14-21(13-17)23-7-9-29-27-25(23)5-6-26-24(8-10-30-28(26)27)22-15-19(3)12-20(4)16-22;1-17-5-3-7-19(15-17)21-11-13-27-25-23(21)9-10-24-22(12-14-28-26(24)25)20-8-4-6-18(2)16-20;1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17;1-17-15-23(19-9-5-3-6-10-19)27-25-21(17)13-14-22-18(2)16-24(28-26(22)25)20-11-7-4-8-12-20;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-2H;1H,2H3;1-24H;5-16H,1-4H3;3*3-16H,1-2H3;1-16H
InChIKeySUCFCJALWXBNKI-UHFFFAOYSA-N
MW3193.77 g/mol
LogP44.13
Rot. Bonds14

About 4,7-bis(3,5-dimethylphenyl)-1,10-phenanthroline;4,7-bis(3-methylphenyl)-1,10-phenanthroline;4,7-bis(4-phenylphenyl)-1,10-phenanthroline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne

4,7-bis(3,5-dimethylphenyl)-1,10-phenanthroline;4,7-bis(3-methylphenyl)-1,10-phenanthroline;4,7-bis(4-phenylphenyl)-1,10-phenanthroline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne (PubChem CID 160937726) has the molecular formula C241H130N12 and a molecular weight of 3193.77 g/mol. Its IUPAC name is 4,7-bis(3,5-dimethylphenyl)-1,10-phenanthroline;4,7-bis(3-methylphenyl)-1,10-phenanthroline;4,7-bis(4-phenylphenyl)-1,10-phenanthroline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne.

Molecular Properties

Compound Name4,7-bis(3,5-dimethylphenyl)-1,10-phenanthroline;4,7-bis(3-methylphenyl)-1,10-phenanthroline;4,7-bis(4-phenylphenyl)-1,10-phenanthroline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne
PubChem CID160937726
Molecular FormulaC241H130N12
Molecular Weight3193.77 g/mol
Exact Mass3191.05
IUPAC Name4,7-bis(3,5-dimethylphenyl)-1,10-phenanthroline;4,7-bis(3-methylphenyl)-1,10-phenanthroline;4,7-bis(4-phenylphenyl)-1,10-phenanthroline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C)nc3c2n1.Cc1cc(-c2ccccc2)nc2c1ccc1c(C)cc(-c3ccccc3)nc12.Cc1cc(C)cc(-c2ccnc3c2ccc2c(-c4cc(C)cc(C)c4)ccnc23)c1.Cc1cccc(-c2ccnc3c2ccc2c(-c4cccc(C)c4)ccnc23)c1.c1ccc(-c2ccc(-c3ccnc4c3ccc3c(-c5ccc(-c6ccccc6)cc5)ccnc34)cc2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C38H2.C37H4.C36H24N2.C28H24N2.3C26H20N2.C24H16N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-7-25(8-4-1)27-11-15-29(16-12-27)31-21-23-37-35-33(31)19-20-34-32(22-24-38-36(34)35)30-17-13-28(14-18-30)26-9-5-2-6-10-26;1-17-11-18(2)14-21(13-17)23-7-9-29-27-25(23)5-6-26-24(8-10-30-28(26)27)22-15-19(3)12-20(4)16-22;1-17-5-3-7-19(15-17)21-11-13-27-25-23(21)9-10-24-22(12-14-28-26(24)25)20-8-4-6-18(2)16-20;1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17;1-17-15-23(19-9-5-3-6-10-19)27-25-21(17)13-14-22-18(2)16-24(28-26(22)25)20-11-7-4-8-12-20;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-2H;1H,2H3;1-24H;5-16H,1-4H3;3*3-16H,1-2H3;1-16H
InChIKeySUCFCJALWXBNKI-UHFFFAOYSA-N
XLogP44.13
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms253
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003193.77
LogP ≤ 544.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4,7-bis(3,5-dimethylphenyl)-1,10-phenanthroline;4,7-bis(3-methylphenyl)-1,10-phenanthroline;4,7-bis(4-phenylphenyl)-1,10-phenanthroline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne with MolForge

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Related Compounds

2-methyl-4,7,9-triphenyl-1,10-phenanthroline
CID 58704555
2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline
CID 58813339
2-(3,5-diphenylphenyl)-4,7-dimethyl-1,10-phenanthroline
CID 175634736
2-methyl-4,8-diphenyl-1,5-naphthyridine;2-methyl-4,6-diphenylpyridine;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene
CID 158460536
4-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-2,7-diphenyl-1,10-phenanthroline
CID 155336393
4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline
CID 160846068
4-methyl-2-phenyl-1,10-phenanthroline
CID 161241455
4,7-bis(4-isoquinolin-3-ylphenyl)-2-phenyl-1,10-phenanthroline
CID 144839385
2-[2,5-dimethyl-4-(9-methyl-4,7-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-9-methyl-4,7-diphenyl-1,10-phenanthroline
CID 59736414
2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2,4-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-(2-methylphenyl)-9-[3-[9-(2-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-[3-methyl-5-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 160699118
2,9-bis(2,5-dimethylphenyl)-4,7-bis(4-phenylphenyl)-1,10-phenanthroline
CID 70909605
2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799

Frequently Asked Questions

What is the IUPAC name of 4,7-bis(3,5-dimethylphenyl)-1,10-phenanthroline;4,7-bis(3-methylphenyl)-1,10-phenanthroline;4,7-bis(4-phenylphenyl)-1,10-phenanthroline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne?
The IUPAC name of 4,7-bis(3,5-dimethylphenyl)-1,10-phenanthroline;4,7-bis(3-methylphenyl)-1,10-phenanthroline;4,7-bis(4-phenylphenyl)-1,10-phenanthroline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne (CID 160937726) is 4,7-bis(3,5-dimethylphenyl)-1,10-phenanthroline;4,7-bis(3-methylphenyl)-1,10-phenanthroline;4,7-bis(4-phenylphenyl)-1,10-phenanthroline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne.
What is the SMILES notation for 4,7-bis(3,5-dimethylphenyl)-1,10-phenanthroline;4,7-bis(3-methylphenyl)-1,10-phenanthroline;4,7-bis(4-phenylphenyl)-1,10-phenanthroline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne?
The canonical SMILES for 4,7-bis(3,5-dimethylphenyl)-1,10-phenanthroline;4,7-bis(3-methylphenyl)-1,10-phenanthroline;4,7-bis(4-phenylphenyl)-1,10-phenanthroline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C)nc3c2n1.Cc1cc(-c2ccccc2)nc2c1ccc1c(C)cc(-c3ccccc3)nc12.Cc1cc(C)cc(-c2ccnc3c2ccc2c(-c4cc(C)cc(C)c4)ccnc23)c1.Cc1cccc(-c2ccnc3c2ccc2c(-c4cccc(C)c4)ccnc23)c1.c1ccc(-c2ccc(-c3ccnc4c3ccc3c(-c5ccc(-c6ccccc6)cc5)ccnc34)cc2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of 4,7-bis(3,5-dimethylphenyl)-1,10-phenanthroline;4,7-bis(3-methylphenyl)-1,10-phenanthroline;4,7-bis(4-phenylphenyl)-1,10-phenanthroline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne?
The InChIKey is SUCFCJALWXBNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H2.C37H4.C36H24N2.C28H24N2.3C26H20N2.C24H16N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-7-25(8-4-1)27-11-15-29(16-12-27)31-21-23-37-35-33(31)19-20-34-32(22-24-38-36(34)35)30-17-13-28(14-18-30)26-9-5-2-6-10-26;1-17-11-18(2)14-21(13-17)23-7-9-29-27-25(23)5-6-26-24(8-10-30-28(26)27)22-15-19(3)12-20(4)16-22;1-17-5-3-7-19(15-17)21-11-13-27-25-23(21)9-10-24-22(12-14-28-26(24)25)20-8-4-6-18(2)16-20;1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17;1-17-15-23(19-9-5-3-6-10-19)27-25-21(17)13-14-22-18(2)16-24(28-26(22)25)20-11-7-4-8-12-20;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-2H;1H,2H3;1-24H;5-16H,1-4H3;3*3-16H,1-2H3;1-16H.
What are the key properties of 4,7-bis(3,5-dimethylphenyl)-1,10-phenanthroline;4,7-bis(3-methylphenyl)-1,10-phenanthroline;4,7-bis(4-phenylphenyl)-1,10-phenanthroline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne?
4,7-bis(3,5-dimethylphenyl)-1,10-phenanthroline;4,7-bis(3-methylphenyl)-1,10-phenanthroline;4,7-bis(4-phenylphenyl)-1,10-phenanthroline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne has a molecular weight of 3193.77 g/mol, XLogP of 44.13, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(3,5-dimethylphenyl)-1,10-phenanthroline;4,7-bis(3-methylphenyl)-1,10-phenanthroline;4,7-bis(4-phenylphenyl)-1,10-phenanthroline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne is sourced from PubChem (CID 160937726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).