benzo[f]quinoxaline;ethane;5H-indeno[1,2-d]pyrimidine;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-3-phenylquinoxaline;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine

C127H113N15 — CID 161221343

IUPACbenzo[f]quinoxaline;ethane;5H-indeno[1,2-d]pyrimidine;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-3-phenylquinoxaline;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine
SMILESCC.CC.CC.CC.CC.Cc1nc(-c2ccccc2)c2ccccc2n1.Cc1nc(-c2ccccc2)nc2ccccc12.Cc1nc2ccccc2nc1-c1ccccc1.c1ccc2c(c1)Cc1cncnc1-2.c1ccc2c(c1)c1ccccc1c1ncccc21.c1ccc2c(c1)c1ccccc1c1nccnc21.c1ccc2c(c1)c1ccccc1c1ncncc21.c1ccc2c(c1)ccc1nccnc12
InChIInChI=1S/C17H11N.2C16H10N2.3C15H12N2.C12H8N2.C11H8N2.5C2H6/c1-2-7-14-12(6-1)13-8-3-4-9-15(13)17-16(14)10-5-11-18-17;1-3-7-13-11(5-1)12-6-2-4-8-14(12)16-15(13)17-9-10-18-16;1-2-7-13-11(5-1)12-6-3-4-8-14(12)16-15(13)9-17-10-18-16;1-11-16-14-10-6-5-9-13(14)15(17-11)12-7-3-2-4-8-12;1-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16-11;1-11-13-9-5-6-10-14(13)17-15(16-11)12-7-3-2-4-8-12;1-2-4-10-9(3-1)5-6-11-12(10)14-8-7-13-11;1-2-4-10-8(3-1)5-9-6-12-7-13-11(9)10;5*1-2/h1-11H;2*1-10H;3*2-10H,1H3;1-8H;1-4,6-7H,5H2;5*1-2H3
InChIKeyUXNZVZUNNGMWFI-UHFFFAOYSA-N
MW1849.41 g/mol
LogP33.19
Rot. Bonds3

About benzo[f]quinoxaline;ethane;5H-indeno[1,2-d]pyrimidine;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-3-phenylquinoxaline;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine

benzo[f]quinoxaline;ethane;5H-indeno[1,2-d]pyrimidine;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-3-phenylquinoxaline;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine (PubChem CID 161221343) has the molecular formula C127H113N15 and a molecular weight of 1849.41 g/mol. Its IUPAC name is benzo[f]quinoxaline;ethane;5H-indeno[1,2-d]pyrimidine;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-3-phenylquinoxaline;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine.

Molecular Properties

Compound Namebenzo[f]quinoxaline;ethane;5H-indeno[1,2-d]pyrimidine;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-3-phenylquinoxaline;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine
PubChem CID161221343
Molecular FormulaC127H113N15
Molecular Weight1849.41 g/mol
Exact Mass1847.93
IUPAC Namebenzo[f]quinoxaline;ethane;5H-indeno[1,2-d]pyrimidine;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-3-phenylquinoxaline;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine
SMILESCC.CC.CC.CC.CC.Cc1nc(-c2ccccc2)c2ccccc2n1.Cc1nc(-c2ccccc2)nc2ccccc12.Cc1nc2ccccc2nc1-c1ccccc1.c1ccc2c(c1)Cc1cncnc1-2.c1ccc2c(c1)c1ccccc1c1ncccc21.c1ccc2c(c1)c1ccccc1c1nccnc21.c1ccc2c(c1)c1ccccc1c1ncncc21.c1ccc2c(c1)ccc1nccnc12
InChIInChI=1S/C17H11N.2C16H10N2.3C15H12N2.C12H8N2.C11H8N2.5C2H6/c1-2-7-14-12(6-1)13-8-3-4-9-15(13)17-16(14)10-5-11-18-17;1-3-7-13-11(5-1)12-6-2-4-8-14(12)16-15(13)17-9-10-18-16;1-2-7-13-11(5-1)12-6-3-4-8-14(12)16-15(13)9-17-10-18-16;1-11-16-14-10-6-5-9-13(14)15(17-11)12-7-3-2-4-8-12;1-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16-11;1-11-13-9-5-6-10-14(13)17-15(16-11)12-7-3-2-4-8-12;1-2-4-10-9(3-1)5-6-11-12(10)14-8-7-13-11;1-2-4-10-8(3-1)5-9-6-12-7-13-11(9)10;5*1-2/h1-11H;2*1-10H;3*2-10H,1H3;1-8H;1-4,6-7H,5H2;5*1-2H3
InChIKeyUXNZVZUNNGMWFI-UHFFFAOYSA-N
XLogP33.19
TPSA193.35 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds3
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001849.41
LogP ≤ 533.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze benzo[f]quinoxaline;ethane;5H-indeno[1,2-d]pyrimidine;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-3-phenylquinoxaline;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine with MolForge

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Related Compounds

3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;ethane;bis(9H-fluorene);9H-indeno[1,2-b]pyrazine;tris(5H-indeno[1,2-b]pyridine);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;9H-indeno[2,1-c]pyridine;9H-indeno[2,1-d]pyrimidine;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine;2,4,6-trimethyl-1,3,5-triazine;bis(triphenylene)
CID 161136537
[1]benzofuro[2,3-d]pyrimidine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[2,3-d]pyrimidine;2-methyl-4-phenylbenzo[h]quinazoline;2-methyl-4-phenylquinazoline;2-methyl-3-phenylquinoxaline
CID 167711959
5-methyl-1,10-phenanthroline;4-methyl-3-phenylisoquinoline;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline
CID 157326045
benzo[f][1,7]phenanthroline;bis(benzo[f][1,8]phenanthroline);benzo[f][1,9]phenanthroline;benzo[f][3,8]phenanthroline;ethane;phenanthro[9,10-b]pyrazine;phenanthro[9,10-d]pyrimidine
CID 159905884
2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 122487429
6,9-diazapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 87476732
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 152916568
1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;bis(6-methylisoquinoline);1-methylnaphthalene;bis(2-methylnaphthalene);12-methylphenanthro[9,10-b]pyridine;2-methyl-4-phenylquinazoline;2-methylquinazoline;4-methylquinazoline;6-methylquinazoline;4-methylquinoline;bis(5-methylquinoline);bis(6-methylquinoline);bis(8-methylquinoline);2-methylquinoxaline;5-methylquinoxaline;1-methyltriphenylene;2-methyltriphenylene
CID 157298611
6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-1-ylphenyl]phenyl]pyrido[4,3-c][1,5]naphthyridine
CID 129201172
3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 118516950
2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline
CID 118487412
bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
CID 56973553

Frequently Asked Questions

What is the IUPAC name of benzo[f]quinoxaline;ethane;5H-indeno[1,2-d]pyrimidine;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-3-phenylquinoxaline;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine?
The IUPAC name of benzo[f]quinoxaline;ethane;5H-indeno[1,2-d]pyrimidine;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-3-phenylquinoxaline;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine (CID 161221343) is benzo[f]quinoxaline;ethane;5H-indeno[1,2-d]pyrimidine;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-3-phenylquinoxaline;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine.
What is the SMILES notation for benzo[f]quinoxaline;ethane;5H-indeno[1,2-d]pyrimidine;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-3-phenylquinoxaline;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine?
The canonical SMILES for benzo[f]quinoxaline;ethane;5H-indeno[1,2-d]pyrimidine;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-3-phenylquinoxaline;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine is CC.CC.CC.CC.CC.Cc1nc(-c2ccccc2)c2ccccc2n1.Cc1nc(-c2ccccc2)nc2ccccc12.Cc1nc2ccccc2nc1-c1ccccc1.c1ccc2c(c1)Cc1cncnc1-2.c1ccc2c(c1)c1ccccc1c1ncccc21.c1ccc2c(c1)c1ccccc1c1nccnc21.c1ccc2c(c1)c1ccccc1c1ncncc21.c1ccc2c(c1)ccc1nccnc12.
What is the InChIKey of benzo[f]quinoxaline;ethane;5H-indeno[1,2-d]pyrimidine;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-3-phenylquinoxaline;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine?
The InChIKey is UXNZVZUNNGMWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N.2C16H10N2.3C15H12N2.C12H8N2.C11H8N2.5C2H6/c1-2-7-14-12(6-1)13-8-3-4-9-15(13)17-16(14)10-5-11-18-17;1-3-7-13-11(5-1)12-6-2-4-8-14(12)16-15(13)17-9-10-18-16;1-2-7-13-11(5-1)12-6-3-4-8-14(12)16-15(13)9-17-10-18-16;1-11-16-14-10-6-5-9-13(14)15(17-11)12-7-3-2-4-8-12;1-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16-11;1-11-13-9-5-6-10-14(13)17-15(16-11)12-7-3-2-4-8-12;1-2-4-10-9(3-1)5-6-11-12(10)14-8-7-13-11;1-2-4-10-8(3-1)5-9-6-12-7-13-11(9)10;5*1-2/h1-11H;2*1-10H;3*2-10H,1H3;1-8H;1-4,6-7H,5H2;5*1-2H3.
What are the key properties of benzo[f]quinoxaline;ethane;5H-indeno[1,2-d]pyrimidine;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-3-phenylquinoxaline;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine?
benzo[f]quinoxaline;ethane;5H-indeno[1,2-d]pyrimidine;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-3-phenylquinoxaline;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine has a molecular weight of 1849.41 g/mol, XLogP of 33.19, 3 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[f]quinoxaline;ethane;5H-indeno[1,2-d]pyrimidine;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-3-phenylquinoxaline;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine is sourced from PubChem (CID 161221343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).