benzo[f][1,10]phenanthroline;1,3-benzoxazole;3-oxa-5,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),8,10,13,15-octaene;[1,3]oxazolo[4,5-b]pyridine;phenanthro[9,10-b]pyridine;phenanthro[9,10-c]pyridine;1-phenylbenzimidazole;4-phenyl-1,2,4-triazole;4H-pyrazole;bis(pyridine);pyrimidine;quinazoline;quinoline;1,3,5-triazine

C135H100N26O3 — CID 157453762

About benzo[f][1,10]phenanthroline;1,3-benzoxazole;3-oxa-5,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),8,10,13,15-octaene;[1,3]oxazolo[4,5-b]pyridine;phenanthro[9,10-b]pyridine;phenanthro[9,10-c]pyridine;1-phenylbenzimidazole;4-phenyl-1,2,4-triazole;4H-pyrazole;bis(pyridine);pyrimidine;quinazoline;quinoline;1,3,5-triazine

benzo[f][1,10]phenanthroline;1,3-benzoxazole;3-oxa-5,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),8,10,13,15-octaene;[1,3]oxazolo[4,5-b]pyridine;phenanthro[9,10-b]pyridine;phenanthro[9,10-c]pyridine;1-phenylbenzimidazole;4-phenyl-1,2,4-triazole;4H-pyrazole;bis(pyridine);pyrimidine;quinazoline;quinoline;1,3,5-triazine (PubChem CID 157453762) has the molecular formula C135H100N26O3 and a molecular weight of 2134.46 g/mol. Its IUPAC name is benzo[f][1,10]phenanthroline;1,3-benzoxazole;3-oxa-5,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),8,10,13,15-octaene;[1,3]oxazolo[4,5-b]pyridine;phenanthro[9,10-b]pyridine;phenanthro[9,10-c]pyridine;1-phenylbenzimidazole;4-phenyl-1,2,4-triazole;4H-pyrazole;bis(pyridine);pyrimidine;quinazoline;quinoline;1,3,5-triazine.

Molecular Properties

• Compound Name: benzo[f][1,10]phenanthroline;1,3-benzoxazole;3-oxa-5,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),8,10,13,15-octaene;[1,3]oxazolo[4,5-b]pyridine;phenanthro[9,10-b]pyridine;phenanthro[9,10-c]pyridine;1-phenylbenzimidazole;4-phenyl-1,2,4-triazole;4H-pyrazole;bis(pyridine);pyrimidine;quinazoline;quinoline;1,3,5-triazine
• PubChem CID: 157453762
• Molecular Formula: C135H100N26O3
• Molecular Weight: 2134.46 g/mol
• Exact Mass: 2132.85
• IUPAC Name: benzo[f][1,10]phenanthroline;1,3-benzoxazole;3-oxa-5,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),8,10,13,15-octaene;[1,3]oxazolo[4,5-b]pyridine;phenanthro[9,10-b]pyridine;phenanthro[9,10-c]pyridine;1-phenylbenzimidazole;4-phenyl-1,2,4-triazole;4H-pyrazole;bis(pyridine);pyrimidine;quinazoline;quinoline;1,3,5-triazine
• SMILES: C1=NN=CC1.c1ccc(-n2cnc3ccccc32)cc1.c1ccc(-n2cnnc2)cc1.c1ccc2c(c1)c1ccccc1c1cnccc21.c1ccc2c(c1)c1ccccc1c1ncccc21.c1ccc2c(c1)c1cccnc1c1ncccc21.c1ccc2c(c1)c1cccnc1c1ncoc21.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1ccc2ocnc2c1.c1ccncc1.c1ccncc1.c1cnc2ncoc2c1.c1cncnc1.c1ncncn1
• InChI: InChI=1S/2C17H11N.C16H10N2.C14H8N2O.C13H10N2.C9H7N.C8H7N3.C8H6N2.C7H5NO.C6H4N2O.2C5H5N.C4H4N2.C3H3N3.C3H4N2/c1-2-7-14-12(6-1)13-8-3-4-9-15(13)17-16(14)10-5-11-18-17;1-2-7-14-12(5-1)13-6-3-4-8-15(13)17-11-18-10-9-16(14)17;1-2-6-12-11(5-1)13-7-3-9-17-15(13)16-14(12)8-4-10-18-16;1-2-5-11-9(4-1)10-6-3-7-15-12(10)13-14(11)17-8-16-13;1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8(5-3-1)11-6-9-10-7-11;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-7-6(3-1)8-5-9-7;1-2-5-6(7-3-1)8-4-9-5;2*1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-4-2-6-3-5-1;1-2-4-5-3-1/h2*1-11H;1-10H;1-8H;1-10H;1-7H;1-7H;1-6H;1-5H;1-4H;2*1-5H;1-4H;1-3H;2-3H,1H2
• InChIKey: BTCKWJMHJFUIKH-UHFFFAOYSA-N
• XLogP: 30.71
• TPSA: 357.58 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 2
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2134.46
LogP ≤ 5	30.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzo[f][1,10]phenanthroline;1,3-benzoxazole;3-oxa-5,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),8,10,13,15-octaene;[1,3]oxazolo[4,5-b]pyridine;phenanthro[9,10-b]pyridine;phenanthro[9,10-c]pyridine;1-phenylbenzimidazole;4-phenyl-1,2,4-triazole;4H-pyrazole;bis(pyridine);pyrimidine;quinazoline;quinoline;1,3,5-triazine?

The IUPAC name of benzo[f][1,10]phenanthroline;1,3-benzoxazole;3-oxa-5,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),8,10,13,15-octaene;[1,3]oxazolo[4,5-b]pyridine;phenanthro[9,10-b]pyridine;phenanthro[9,10-c]pyridine;1-phenylbenzimidazole;4-phenyl-1,2,4-triazole;4H-pyrazole;bis(pyridine);pyrimidine;quinazoline;quinoline;1,3,5-triazine (CID 157453762) is benzo[f][1,10]phenanthroline;1,3-benzoxazole;3-oxa-5,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),8,10,13,15-octaene;[1,3]oxazolo[4,5-b]pyridine;phenanthro[9,10-b]pyridine;phenanthro[9,10-c]pyridine;1-phenylbenzimidazole;4-phenyl-1,2,4-triazole;4H-pyrazole;bis(pyridine);pyrimidine;quinazoline;quinoline;1,3,5-triazine.

What is the SMILES notation for benzo[f][1,10]phenanthroline;1,3-benzoxazole;3-oxa-5,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),8,10,13,15-octaene;[1,3]oxazolo[4,5-b]pyridine;phenanthro[9,10-b]pyridine;phenanthro[9,10-c]pyridine;1-phenylbenzimidazole;4-phenyl-1,2,4-triazole;4H-pyrazole;bis(pyridine);pyrimidine;quinazoline;quinoline;1,3,5-triazine?

The canonical SMILES for benzo[f][1,10]phenanthroline;1,3-benzoxazole;3-oxa-5,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),8,10,13,15-octaene;[1,3]oxazolo[4,5-b]pyridine;phenanthro[9,10-b]pyridine;phenanthro[9,10-c]pyridine;1-phenylbenzimidazole;4-phenyl-1,2,4-triazole;4H-pyrazole;bis(pyridine);pyrimidine;quinazoline;quinoline;1,3,5-triazine is C1=NN=CC1.c1ccc(-n2cnc3ccccc32)cc1.c1ccc(-n2cnnc2)cc1.c1ccc2c(c1)c1ccccc1c1cnccc21.c1ccc2c(c1)c1ccccc1c1ncccc21.c1ccc2c(c1)c1cccnc1c1ncccc21.c1ccc2c(c1)c1cccnc1c1ncoc21.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1ccc2ocnc2c1.c1ccncc1.c1ccncc1.c1cnc2ncoc2c1.c1cncnc1.c1ncncn1.

What is the InChIKey of benzo[f][1,10]phenanthroline;1,3-benzoxazole;3-oxa-5,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),8,10,13,15-octaene;[1,3]oxazolo[4,5-b]pyridine;phenanthro[9,10-b]pyridine;phenanthro[9,10-c]pyridine;1-phenylbenzimidazole;4-phenyl-1,2,4-triazole;4H-pyrazole;bis(pyridine);pyrimidine;quinazoline;quinoline;1,3,5-triazine?

The InChIKey is BTCKWJMHJFUIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H11N.C16H10N2.C14H8N2O.C13H10N2.C9H7N.C8H7N3.C8H6N2.C7H5NO.C6H4N2O.2C5H5N.C4H4N2.C3H3N3.C3H4N2/c1-2-7-14-12(6-1)13-8-3-4-9-15(13)17-16(14)10-5-11-18-17;1-2-7-14-12(5-1)13-6-3-4-8-15(13)17-11-18-10-9-16(14)17;1-2-6-12-11(5-1)13-7-3-9-17-15(13)16-14(12)8-4-10-18-16;1-2-5-11-9(4-1)10-6-3-7-15-12(10)13-14(11)17-8-16-13;1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8(5-3-1)11-6-9-10-7-11;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-7-6(3-1)8-5-9-7;1-2-5-6(7-3-1)8-4-9-5;2*1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-4-2-6-3-5-1;1-2-4-5-3-1/h2*1-11H;1-10H;1-8H;1-10H;1-7H;1-7H;1-6H;1-5H;1-4H;2*1-5H;1-4H;1-3H;2-3H,1H2.

What are the key properties of benzo[f][1,10]phenanthroline;1,3-benzoxazole;3-oxa-5,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),8,10,13,15-octaene;[1,3]oxazolo[4,5-b]pyridine;phenanthro[9,10-b]pyridine;phenanthro[9,10-c]pyridine;1-phenylbenzimidazole;4-phenyl-1,2,4-triazole;4H-pyrazole;bis(pyridine);pyrimidine;quinazoline;quinoline;1,3,5-triazine?

benzo[f][1,10]phenanthroline;1,3-benzoxazole;3-oxa-5,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),8,10,13,15-octaene;[1,3]oxazolo[4,5-b]pyridine;phenanthro[9,10-b]pyridine;phenanthro[9,10-c]pyridine;1-phenylbenzimidazole;4-phenyl-1,2,4-triazole;4H-pyrazole;bis(pyridine);pyrimidine;quinazoline;quinoline;1,3,5-triazine has a molecular weight of 2134.46 g/mol, XLogP of 30.71, 2 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for benzo[f][1,10]phenanthroline;1,3-benzoxazole;3-oxa-5,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),8,10,13,15-octaene;[1,3]oxazolo[4,5-b]pyridine;phenanthro[9,10-b]pyridine;phenanthro[9,10-c]pyridine;1-phenylbenzimidazole;4-phenyl-1,2,4-triazole;4H-pyrazole;bis(pyridine);pyrimidine;quinazoline;quinoline;1,3,5-triazine is sourced from PubChem (CID 157453762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).