9-[(5-methyl-1-tritylimidazol-4-yl)methyl]-1,9-phenanthrolin-10-one

C36H28N4O — CID 10007250

IUPAC9-[(5-methyl-1-tritylimidazol-4-yl)methyl]-1,9-phenanthrolin-10-one
SMILESCc1c(Cn2ccc3ccc4cccnc4c3c2=O)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H28N4O/c1-26-32(24-39-23-21-27-19-20-28-12-11-22-37-34(28)33(27)35(39)41)38-25-40(26)36(29-13-5-2-6-14-29,30-15-7-3-8-16-30)31-17-9-4-10-18-31/h2-23,25H,24H2,1H3
InChIKeyPHEQJRWJYGRTHZ-UHFFFAOYSA-N
MW532.65 g/mol
LogP6.94
Rot. Bonds6

About 9-[(5-methyl-1-tritylimidazol-4-yl)methyl]-1,9-phenanthrolin-10-one

9-[(5-methyl-1-tritylimidazol-4-yl)methyl]-1,9-phenanthrolin-10-one (PubChem CID 10007250) has the molecular formula C36H28N4O and a molecular weight of 532.65 g/mol. Its IUPAC name is 9-[(5-methyl-1-tritylimidazol-4-yl)methyl]-1,9-phenanthrolin-10-one.

Molecular Properties

Compound Name9-[(5-methyl-1-tritylimidazol-4-yl)methyl]-1,9-phenanthrolin-10-one
PubChem CID10007250
Molecular FormulaC36H28N4O
Molecular Weight532.65 g/mol
Exact Mass532.23
IUPAC Name9-[(5-methyl-1-tritylimidazol-4-yl)methyl]-1,9-phenanthrolin-10-one
SMILESCc1c(Cn2ccc3ccc4cccnc4c3c2=O)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H28N4O/c1-26-32(24-39-23-21-27-19-20-28-12-11-22-37-34(28)33(27)35(39)41)38-25-40(26)36(29-13-5-2-6-14-29,30-15-7-3-8-16-30)31-17-9-4-10-18-31/h2-23,25H,24H2,1H3
InChIKeyPHEQJRWJYGRTHZ-UHFFFAOYSA-N
XLogP6.94
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.65
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-2-[(5-methyl-1-tritylimidazol-4-yl)methyl]pyrido[4,3-c]carbazol-1-one
CID 10460940
2-[(5-methyl-1-tritylimidazol-4-yl)methyl]benzo[h][2,6]naphthyridin-1-one
CID 10030014
7-chloro-2-[(5-methyl-1-tritylimidazol-4-yl)methyl]isoquinolin-1-one
CID 10075227
8-chloro-2-[(5-methyl-1-tritylimidazol-4-yl)methyl]-1H-imidazo[1,5-a]indol-3-one
CID 70103121
1-(1-methylindol-3-yl)-3-(5-methyl-1-tritylimidazol-4-yl)propan-1-one
CID 21273246
4-hydroxy-4-(5-methyl-1-tritylimidazol-4-yl)butanal
CID 25051407
10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one
CID 70072025
8-methyl-7-[1-(1-tritylimidazol-4-yl)ethenyl]quinoline
CID 59749544
7-iodo-1,7-naphthyridin-8-one
CID 174258978
2-methylimidazo[1,2-h][1,7]naphthyridine
CID 67891611
10-[3-(9-benzo[h]quinolin-10-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
CID 118003229
3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one
CID 107017504

Frequently Asked Questions

What is the IUPAC name of 9-[(5-methyl-1-tritylimidazol-4-yl)methyl]-1,9-phenanthrolin-10-one?
The IUPAC name of 9-[(5-methyl-1-tritylimidazol-4-yl)methyl]-1,9-phenanthrolin-10-one (CID 10007250) is 9-[(5-methyl-1-tritylimidazol-4-yl)methyl]-1,9-phenanthrolin-10-one.
What is the SMILES notation for 9-[(5-methyl-1-tritylimidazol-4-yl)methyl]-1,9-phenanthrolin-10-one?
The canonical SMILES for 9-[(5-methyl-1-tritylimidazol-4-yl)methyl]-1,9-phenanthrolin-10-one is Cc1c(Cn2ccc3ccc4cccnc4c3c2=O)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 9-[(5-methyl-1-tritylimidazol-4-yl)methyl]-1,9-phenanthrolin-10-one?
The InChIKey is PHEQJRWJYGRTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N4O/c1-26-32(24-39-23-21-27-19-20-28-12-11-22-37-34(28)33(27)35(39)41)38-25-40(26)36(29-13-5-2-6-14-29,30-15-7-3-8-16-30)31-17-9-4-10-18-31/h2-23,25H,24H2,1H3.
What are the key properties of 9-[(5-methyl-1-tritylimidazol-4-yl)methyl]-1,9-phenanthrolin-10-one?
9-[(5-methyl-1-tritylimidazol-4-yl)methyl]-1,9-phenanthrolin-10-one has a molecular weight of 532.65 g/mol, XLogP of 6.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5-methyl-1-tritylimidazol-4-yl)methyl]-1,9-phenanthrolin-10-one is sourced from PubChem (CID 10007250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).