5-benzo[c]carbazol-7-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;5-carbazol-9-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-5-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide

C105H75N10O3P3 — CID 158164453

About 5-benzo[c]carbazol-7-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;5-carbazol-9-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-5-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide

5-benzo[c]carbazol-7-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;5-carbazol-9-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-5-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide (PubChem CID 158164453) has the molecular formula C105H75N10O3P3 and a molecular weight of 1617.74 g/mol. Its IUPAC name is 5-benzo[c]carbazol-7-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;5-carbazol-9-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-5-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide.

Molecular Properties

• Compound Name: 5-benzo[c]carbazol-7-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;5-carbazol-9-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-5-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide
• PubChem CID: 158164453
• Molecular Formula: C105H75N10O3P3
• Molecular Weight: 1617.74 g/mol
• Exact Mass: 1616.52
• IUPAC Name: 5-benzo[c]carbazol-7-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;5-carbazol-9-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-5-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide
• SMILES: CCc1nc2cccc3c2n1-c1ccc(-c2nc4ccccc4nc2-c2ccccc2)cc1P3(=O)c1ccccc1.CCc1nc2cccc3c2n1-c1ccc(-n2c4ccccc4c4c5ccccc5ccc42)cc1P3(=O)c1ccccc1.CCc1nc2cccc3c2n1-c1ccc(-n2c4ccccc4c4ccccc42)cc1P3(=O)c1ccccc1
• InChI: InChI=1S/C37H26N3OP.C35H25N4OP.C33H24N3OP/c1-2-35-38-29-16-10-18-33-37(29)40(35)31-22-20-25(23-34(31)42(33,41)26-12-4-3-5-13-26)39-30-17-9-8-15-28(30)36-27-14-7-6-11-24(27)19-21-32(36)39;1-2-32-36-28-18-11-19-30-35(28)39(32)29-21-20-24(22-31(29)41(30,40)25-14-7-4-8-15-25)34-33(23-12-5-3-6-13-23)37-26-16-9-10-17-27(26)38-34;1-2-32-34-26-15-10-18-30-33(26)36(32)29-20-19-22(21-31(29)38(30,37)23-11-4-3-5-12-23)35-27-16-8-6-13-24(27)25-14-7-9-17-28(25)35/h3-23H,2H2,1H3;3-22H,2H2,1H3;3-21H,2H2,1H3
• InChIKey: FWRCERDXBFTNEO-UHFFFAOYSA-N
• XLogP: 21.25
• TPSA: 140.31 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1617.74
LogP ≤ 5	21.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-benzo[c]carbazol-7-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;5-carbazol-9-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-5-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide?

The IUPAC name of 5-benzo[c]carbazol-7-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;5-carbazol-9-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-5-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide (CID 158164453) is 5-benzo[c]carbazol-7-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;5-carbazol-9-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-5-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide.

What is the SMILES notation for 5-benzo[c]carbazol-7-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;5-carbazol-9-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-5-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide?

The canonical SMILES for 5-benzo[c]carbazol-7-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;5-carbazol-9-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-5-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide is CCc1nc2cccc3c2n1-c1ccc(-c2nc4ccccc4nc2-c2ccccc2)cc1P3(=O)c1ccccc1.CCc1nc2cccc3c2n1-c1ccc(-n2c4ccccc4c4c5ccccc5ccc42)cc1P3(=O)c1ccccc1.CCc1nc2cccc3c2n1-c1ccc(-n2c4ccccc4c4ccccc42)cc1P3(=O)c1ccccc1.

What is the InChIKey of 5-benzo[c]carbazol-7-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;5-carbazol-9-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-5-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide?

The InChIKey is FWRCERDXBFTNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N3OP.C35H25N4OP.C33H24N3OP/c1-2-35-38-29-16-10-18-33-37(29)40(35)31-22-20-25(23-34(31)42(33,41)26-12-4-3-5-13-26)39-30-17-9-8-15-28(30)36-27-14-7-6-11-24(27)19-21-32(36)39;1-2-32-36-28-18-11-19-30-35(28)39(32)29-21-20-24(22-31(29)41(30,40)25-14-7-4-8-15-25)34-33(23-12-5-3-6-13-23)37-26-16-9-10-17-27(26)38-34;1-2-32-34-26-15-10-18-30-33(26)36(32)29-20-19-22(21-31(29)38(30,37)23-11-4-3-5-12-23)35-27-16-8-6-13-24(27)25-14-7-9-17-28(25)35/h3-23H,2H2,1H3;3-22H,2H2,1H3;3-21H,2H2,1H3.

What are the key properties of 5-benzo[c]carbazol-7-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;5-carbazol-9-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-5-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide?

5-benzo[c]carbazol-7-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;5-carbazol-9-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-5-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide has a molecular weight of 1617.74 g/mol, XLogP of 21.25, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzo[c]carbazol-7-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;5-carbazol-9-yl-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-5-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide is sourced from PubChem (CID 158164453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).