4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;2-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]-1,3-benzoxazole

C140H82N18OS5 — CID 167710834

About 4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;2-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]-1,3-benzoxazole

4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;2-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]-1,3-benzoxazole (PubChem CID 167710834) has the molecular formula C140H82N18OS5 and a molecular weight of 2192.66 g/mol. Its IUPAC name is 4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;2-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;2-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]-1,3-benzoxazole
• PubChem CID: 167710834
• Molecular Formula: C140H82N18OS5
• Molecular Weight: 2192.66 g/mol
• Exact Mass: 2190.55
• IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;2-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]-1,3-benzoxazole
• SMILES: c1ccc(-c2nc3ccccc3c3c2cc(-c2ccc(-c4nc5ccccc5n4-c4ccccc4)cc2)c2nsnc23)cc1.c1ccc(-c2nc3ccccc3c3c2cc(-c2ccc(-c4nc5ccccc5o4)cc2)c2nsnc23)cc1.c1ccc(-c2nc3ccccc3c3c2cc(-c2ccc(-c4nc5ccccc5s4)cc2)c2nsnc23)cc1.c1ccc(-c2nc3ccccc3c3c2cc(-c2ccc(-n4c(-c5ccccc5)nc5ccccc54)cc2)c2nsnc23)cc1
• InChI: InChI=1S/2C38H23N5S.C32H18N4OS.C32H18N4S2/c1-3-11-25(12-4-1)35-30-23-29(36-37(42-44-41-36)34(30)28-15-7-8-16-31(28)39-35)24-19-21-26(22-20-24)38-40-32-17-9-10-18-33(32)43(38)27-13-5-2-6-14-27;1-3-11-25(12-4-1)35-30-23-29(36-37(42-44-41-36)34(30)28-15-7-8-16-31(28)39-35)24-19-21-27(22-20-24)43-33-18-10-9-17-32(33)40-38(43)26-13-5-2-6-14-26;2*1-2-8-20(9-3-1)29-24-18-23(30-31(36-38-35-30)28(24)22-10-4-5-11-25(22)33-29)19-14-16-21(17-15-19)32-34-26-12-6-7-13-27(26)37-32/h2*1-23H;2*1-18H
• InChIKey: ZUVLVQBYWOWDFZ-UHFFFAOYSA-N
• XLogP: 37.00
• TPSA: 229.24 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2192.66
LogP ≤ 5	37.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;2-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]-1,3-benzoxazole?

The IUPAC name of 4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;2-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]-1,3-benzoxazole (CID 167710834) is 4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;2-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]-1,3-benzoxazole.

What is the SMILES notation for 4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;2-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]-1,3-benzoxazole?

The canonical SMILES for 4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;2-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]-1,3-benzoxazole is c1ccc(-c2nc3ccccc3c3c2cc(-c2ccc(-c4nc5ccccc5n4-c4ccccc4)cc2)c2nsnc23)cc1.c1ccc(-c2nc3ccccc3c3c2cc(-c2ccc(-c4nc5ccccc5o4)cc2)c2nsnc23)cc1.c1ccc(-c2nc3ccccc3c3c2cc(-c2ccc(-c4nc5ccccc5s4)cc2)c2nsnc23)cc1.c1ccc(-c2nc3ccccc3c3c2cc(-c2ccc(-n4c(-c5ccccc5)nc5ccccc54)cc2)c2nsnc23)cc1.

What is the InChIKey of 4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;2-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]-1,3-benzoxazole?

The InChIKey is ZUVLVQBYWOWDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H23N5S.C32H18N4OS.C32H18N4S2/c1-3-11-25(12-4-1)35-30-23-29(36-37(42-44-41-36)34(30)28-15-7-8-16-31(28)39-35)24-19-21-26(22-20-24)38-40-32-17-9-10-18-33(32)43(38)27-13-5-2-6-14-27;1-3-11-25(12-4-1)35-30-23-29(36-37(42-44-41-36)34(30)28-15-7-8-16-31(28)39-35)24-19-21-27(22-20-24)43-33-18-10-9-17-32(33)40-38(43)26-13-5-2-6-14-26;2*1-2-8-20(9-3-1)29-24-18-23(30-31(36-38-35-30)28(24)22-10-4-5-11-25(22)33-29)19-14-16-21(17-15-19)32-34-26-12-6-7-13-27(26)37-32/h2*1-23H;2*1-18H.

What are the key properties of 4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;2-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]-1,3-benzoxazole?

4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;2-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]-1,3-benzoxazole has a molecular weight of 2192.66 g/mol, XLogP of 37.00, 14 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;2-[4-(6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridin-4-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 167710834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).