7-methyl-2-naphthalen-2-yl-9-[3-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline

C44H31N5 — CID 163418076

IUPAC7-methyl-2-naphthalen-2-yl-9-[3-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline
SMILESCc1cc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccn4)n3)c2)nc2c3c(ccc12)C=CC(c1ccc2ccccc2c1)N3
InChIInChI=1S/C44H31N5/c1-28-24-39(47-43-36(28)21-19-31-20-22-37(46-42(31)43)34-18-17-29-10-5-6-13-32(29)25-34)33-14-9-15-35(26-33)44-48-40(30-11-3-2-4-12-30)27-41(49-44)38-16-7-8-23-45-38/h2-27,37,46H,1H3
InChIKeyAGCYPMLUJAGCMX-UHFFFAOYSA-N
MW629.77 g/mol
LogP10.73
Rot. Bonds5

About 7-methyl-2-naphthalen-2-yl-9-[3-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline

7-methyl-2-naphthalen-2-yl-9-[3-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline (PubChem CID 163418076) has the molecular formula C44H31N5 and a molecular weight of 629.77 g/mol. Its IUPAC name is 7-methyl-2-naphthalen-2-yl-9-[3-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline.

Molecular Properties

Compound Name7-methyl-2-naphthalen-2-yl-9-[3-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline
PubChem CID163418076
Molecular FormulaC44H31N5
Molecular Weight629.77 g/mol
Exact Mass629.26
IUPAC Name7-methyl-2-naphthalen-2-yl-9-[3-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline
SMILESCc1cc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccn4)n3)c2)nc2c3c(ccc12)C=CC(c1ccc2ccccc2c1)N3
InChIInChI=1S/C44H31N5/c1-28-24-39(47-43-36(28)21-19-31-20-22-37(46-42(31)43)34-18-17-29-10-5-6-13-32(29)25-34)33-14-9-15-35(26-33)44-48-40(30-11-3-2-4-12-30)27-41(49-44)38-16-7-8-23-45-38/h2-27,37,46H,1H3
InChIKeyAGCYPMLUJAGCMX-UHFFFAOYSA-N
XLogP10.73
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.77
LogP ≤ 510.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methyl-2-naphthalen-2-yl-9-[3-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,9-dimethyl-2-[4-[3-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;4,9-dimethyl-2-[4-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 161299726
2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrimidine
CID 58090459
4-methyl-2-phenyl-1,10-phenanthroline
CID 161241455
2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 122426506
2-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-naphthalen-1-yl-1,2-dihydro-1,10-phenanthroline
CID 176785173
2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872
2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine
CID 164817029
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline
CID 134167414
2-[3-(6-naphthalen-1-ylpyren-1-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 118313976
2-[2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]-4,6-diphenylpyrimidine
CID 164816888
8-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[i][1,9]phenanthroline;8-(4,6-diphenylpyrimidin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(2,6-dipyridin-2-yl-4-pyridinyl)-3,5-diphenylbenzo[i][1,9]phenanthroline
CID 165102432
2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 58090473

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-naphthalen-2-yl-9-[3-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline?
The IUPAC name of 7-methyl-2-naphthalen-2-yl-9-[3-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline (CID 163418076) is 7-methyl-2-naphthalen-2-yl-9-[3-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline.
What is the SMILES notation for 7-methyl-2-naphthalen-2-yl-9-[3-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline?
The canonical SMILES for 7-methyl-2-naphthalen-2-yl-9-[3-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline is Cc1cc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccn4)n3)c2)nc2c3c(ccc12)C=CC(c1ccc2ccccc2c1)N3.
What is the InChIKey of 7-methyl-2-naphthalen-2-yl-9-[3-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline?
The InChIKey is AGCYPMLUJAGCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N5/c1-28-24-39(47-43-36(28)21-19-31-20-22-37(46-42(31)43)34-18-17-29-10-5-6-13-32(29)25-34)33-14-9-15-35(26-33)44-48-40(30-11-3-2-4-12-30)27-41(49-44)38-16-7-8-23-45-38/h2-27,37,46H,1H3.
What are the key properties of 7-methyl-2-naphthalen-2-yl-9-[3-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline?
7-methyl-2-naphthalen-2-yl-9-[3-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline has a molecular weight of 629.77 g/mol, XLogP of 10.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-naphthalen-2-yl-9-[3-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline is sourced from PubChem (CID 163418076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).