3-methyl-5-naphthalen-2-yl-2-phenylbenzo[f]quinoxaline

C29H20N2 — CID 161045584

IUPAC3-methyl-5-naphthalen-2-yl-2-phenylbenzo[f]quinoxaline
SMILESCc1nc2c(-c3ccc4ccccc4c3)cc3ccccc3c2nc1-c1ccccc1
InChIInChI=1S/C29H20N2/c1-19-27(21-10-3-2-4-11-21)31-28-25-14-8-7-13-23(25)18-26(29(28)30-19)24-16-15-20-9-5-6-12-22(20)17-24/h2-18H,1H3
InChIKeyOUKLBIGEVRWKNN-UHFFFAOYSA-N
MW396.49 g/mol
LogP7.58
Rot. Bonds2

About 3-methyl-5-naphthalen-2-yl-2-phenylbenzo[f]quinoxaline

3-methyl-5-naphthalen-2-yl-2-phenylbenzo[f]quinoxaline (PubChem CID 161045584) has the molecular formula C29H20N2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-methyl-5-naphthalen-2-yl-2-phenylbenzo[f]quinoxaline.

Molecular Properties

Compound Name3-methyl-5-naphthalen-2-yl-2-phenylbenzo[f]quinoxaline
PubChem CID161045584
Molecular FormulaC29H20N2
Molecular Weight396.49 g/mol
Exact Mass396.16
IUPAC Name3-methyl-5-naphthalen-2-yl-2-phenylbenzo[f]quinoxaline
SMILESCc1nc2c(-c3ccc4ccccc4c3)cc3ccccc3c2nc1-c1ccccc1
InChIInChI=1S/C29H20N2/c1-19-27(21-10-3-2-4-11-21)31-28-25-14-8-7-13-23(25)18-26(29(28)30-19)24-16-15-20-9-5-6-12-22(20)17-24/h2-18H,1H3
InChIKeyOUKLBIGEVRWKNN-UHFFFAOYSA-N
XLogP7.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-phenyl-5-(2-phenylphenyl)benzo[g]quinoxaline
CID 160770439
2-methyl-3,5-diphenylbenzo[f]quinoxaline;2-methyl-3,6-diphenylbenzo[f]quinoxaline;2-methyl-3,7-diphenylbenzo[f]quinoxaline;2-methyl-3,8-diphenylbenzo[f]quinoxaline;2-methyl-3,9-diphenylbenzo[f]quinoxaline;2-methyl-3,10-diphenylbenzo[f]quinoxaline;3-methyl-1-phenyl-6-(2-phenylphenyl)benzo[f]quinazoline;3-methyl-1-phenyl-6-(3-phenylphenyl)benzo[f]quinazoline;3-methyl-1-phenyl-6-(4-phenylphenyl)benzo[f]quinazoline;2-methyl-3-phenyl-10-(3-phenylphenyl)benzo[f]quinoxaline;2-methyl-3-phenyl-10-(4-phenylphenyl)benzo[f]quinoxaline
CID 158212740
4,7-dinaphthalen-2-yl-2,9-diphenyl-1,10-phenanthroline
CID 70909440
3-methyl-5-naphthalen-2-yl-2-phenylpyrazine
CID 58991358
4,5,10,11,16,17-hexakis-phenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene;3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene;3,18,21,28,31,46-hexazaundecacyclo[28.16.0.02,19.04,17.05,10.011,16.020,29.022,27.032,45.033,38.039,44]hexatetraconta-1(46),2,4(17),5,7,9,11,13,15,18,20,22,24,26,28,30,32(45),33,35,37,39,41,43-tricosaene;4,10,16-trimethyl-5,11,17-triphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 160924410
2-naphthalen-2-yl-4-(3-phenanthren-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 165044168
3-(4-methylphenyl)-2-phenylphenanthro[9,10-b]pyrazine
CID 59090361
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene
CID 123277337
7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene
CID 59390470

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-naphthalen-2-yl-2-phenylbenzo[f]quinoxaline?
The IUPAC name of 3-methyl-5-naphthalen-2-yl-2-phenylbenzo[f]quinoxaline (CID 161045584) is 3-methyl-5-naphthalen-2-yl-2-phenylbenzo[f]quinoxaline.
What is the SMILES notation for 3-methyl-5-naphthalen-2-yl-2-phenylbenzo[f]quinoxaline?
The canonical SMILES for 3-methyl-5-naphthalen-2-yl-2-phenylbenzo[f]quinoxaline is Cc1nc2c(-c3ccc4ccccc4c3)cc3ccccc3c2nc1-c1ccccc1.
What is the InChIKey of 3-methyl-5-naphthalen-2-yl-2-phenylbenzo[f]quinoxaline?
The InChIKey is OUKLBIGEVRWKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2/c1-19-27(21-10-3-2-4-11-21)31-28-25-14-8-7-13-23(25)18-26(29(28)30-19)24-16-15-20-9-5-6-12-22(20)17-24/h2-18H,1H3.
What are the key properties of 3-methyl-5-naphthalen-2-yl-2-phenylbenzo[f]quinoxaline?
3-methyl-5-naphthalen-2-yl-2-phenylbenzo[f]quinoxaline has a molecular weight of 396.49 g/mol, XLogP of 7.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-naphthalen-2-yl-2-phenylbenzo[f]quinoxaline is sourced from PubChem (CID 161045584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).