10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenoxazine;8-(8-carbazol-9-ylquinolin-5-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;8-[5-(9,9-dimethylacridin-10-yl)pyrazin-2-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

C132H85B4N15OS — CID 159836871

About 10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenoxazine;8-(8-carbazol-9-ylquinolin-5-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;8-[5-(9,9-dimethylacridin-10-yl)pyrazin-2-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenoxazine;8-(8-carbazol-9-ylquinolin-5-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;8-[5-(9,9-dimethylacridin-10-yl)pyrazin-2-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (PubChem CID 159836871) has the molecular formula C132H85B4N15OS and a molecular weight of 1972.55 g/mol. Its IUPAC name is 10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenoxazine;8-(8-carbazol-9-ylquinolin-5-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;8-[5-(9,9-dimethylacridin-10-yl)pyrazin-2-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.

Molecular Properties

• Compound Name: 10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenoxazine;8-(8-carbazol-9-ylquinolin-5-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;8-[5-(9,9-dimethylacridin-10-yl)pyrazin-2-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
• PubChem CID: 159836871
• Molecular Formula: C132H85B4N15OS
• Molecular Weight: 1972.55 g/mol
• Exact Mass: 1971.72
• IUPAC Name: 10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenoxazine;8-(8-carbazol-9-ylquinolin-5-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;8-[5-(9,9-dimethylacridin-10-yl)pyrazin-2-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
• SMILES: CC1(C)c2ccccc2N(c2cnc(B3c4ccccc4-c4ccnc5cccc3c45)cn2)c2ccccc21.c1ccc2c(c1)B(c1ccc(-n3c4ccccc4c4ccccc43)c3ncccc13)c1cccc3nccc-2c13.c1ccc2c(c1)Oc1ccccc1N2c1cnc(B2c3ccccc3-c3ccnc4cccc2c34)cn1.c1ccc2c(c1)Sc1ccccc1N2c1cnc(B2c3ccccc3-c3ccnc4cccc2c34)cn1
• InChI: InChI=1S/C36H22BN3.C34H25BN4.C31H19BN4O.C31H19BN4S/c1-4-13-28-23(9-1)26-20-22-38-31-15-7-14-30(35(26)31)37(28)29-18-19-34(36-27(29)12-8-21-39-36)40-32-16-5-2-10-24(32)25-11-3-6-17-33(25)40;1-34(2)24-11-4-7-16-29(24)39(30-17-8-5-12-25(30)34)32-21-37-31(20-38-32)35-26-13-6-3-10-22(26)23-18-19-36-28-15-9-14-27(35)33(23)28;2*1-2-9-22-20(8-1)21-16-17-33-24-11-7-10-23(31(21)24)32(22)29-18-35-30(19-34-29)36-25-12-3-5-14-27(25)37-28-15-6-4-13-26(28)36/h1-22H;3-21H,1-2H3;2*1-19H
• InChIKey: NOEOGWBACISNCS-UHFFFAOYSA-N
• XLogP: 22.56
• TPSA: 165.67 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1972.55
LogP ≤ 5	22.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenoxazine;8-(8-carbazol-9-ylquinolin-5-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;8-[5-(9,9-dimethylacridin-10-yl)pyrazin-2-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?

The IUPAC name of 10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenoxazine;8-(8-carbazol-9-ylquinolin-5-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;8-[5-(9,9-dimethylacridin-10-yl)pyrazin-2-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (CID 159836871) is 10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenoxazine;8-(8-carbazol-9-ylquinolin-5-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;8-[5-(9,9-dimethylacridin-10-yl)pyrazin-2-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.

What is the SMILES notation for 10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenoxazine;8-(8-carbazol-9-ylquinolin-5-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;8-[5-(9,9-dimethylacridin-10-yl)pyrazin-2-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?

The canonical SMILES for 10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenoxazine;8-(8-carbazol-9-ylquinolin-5-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;8-[5-(9,9-dimethylacridin-10-yl)pyrazin-2-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is CC1(C)c2ccccc2N(c2cnc(B3c4ccccc4-c4ccnc5cccc3c45)cn2)c2ccccc21.c1ccc2c(c1)B(c1ccc(-n3c4ccccc4c4ccccc43)c3ncccc13)c1cccc3nccc-2c13.c1ccc2c(c1)Oc1ccccc1N2c1cnc(B2c3ccccc3-c3ccnc4cccc2c34)cn1.c1ccc2c(c1)Sc1ccccc1N2c1cnc(B2c3ccccc3-c3ccnc4cccc2c34)cn1.

What is the InChIKey of 10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenoxazine;8-(8-carbazol-9-ylquinolin-5-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;8-[5-(9,9-dimethylacridin-10-yl)pyrazin-2-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?

The InChIKey is NOEOGWBACISNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22BN3.C34H25BN4.C31H19BN4O.C31H19BN4S/c1-4-13-28-23(9-1)26-20-22-38-31-15-7-14-30(35(26)31)37(28)29-18-19-34(36-27(29)12-8-21-39-36)40-32-16-5-2-10-24(32)25-11-3-6-17-33(25)40;1-34(2)24-11-4-7-16-29(24)39(30-17-8-5-12-25(30)34)32-21-37-31(20-38-32)35-26-13-6-3-10-22(26)23-18-19-36-28-15-9-14-27(35)33(23)28;2*1-2-9-22-20(8-1)21-16-17-33-24-11-7-10-23(31(21)24)32(22)29-18-35-30(19-34-29)36-25-12-3-5-14-27(25)37-28-15-6-4-13-26(28)36/h1-22H;3-21H,1-2H3;2*1-19H.

What are the key properties of 10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenoxazine;8-(8-carbazol-9-ylquinolin-5-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;8-[5-(9,9-dimethylacridin-10-yl)pyrazin-2-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?

10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenoxazine;8-(8-carbazol-9-ylquinolin-5-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;8-[5-(9,9-dimethylacridin-10-yl)pyrazin-2-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene has a molecular weight of 1972.55 g/mol, XLogP of 22.56, 8 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenoxazine;8-(8-carbazol-9-ylquinolin-5-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;8-[5-(9,9-dimethylacridin-10-yl)pyrazin-2-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is sourced from PubChem (CID 159836871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).