15-[3-[7-(9,9-dimethylfluoren-3-yl)benzo[c]carbazol-10-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C57H36N4O — CID 129297940

About 15-[3-[7-(9,9-dimethylfluoren-3-yl)benzo[c]carbazol-10-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

15-[3-[7-(9,9-dimethylfluoren-3-yl)benzo[c]carbazol-10-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 129297940) has the molecular formula C57H36N4O and a molecular weight of 792.94 g/mol. Its IUPAC name is 15-[3-[7-(9,9-dimethylfluoren-3-yl)benzo[c]carbazol-10-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

• Compound Name: 15-[3-[7-(9,9-dimethylfluoren-3-yl)benzo[c]carbazol-10-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• PubChem CID: 129297940
• Molecular Formula: C57H36N4O
• Molecular Weight: 792.94 g/mol
• Exact Mass: 792.29
• IUPAC Name: 15-[3-[7-(9,9-dimethylfluoren-3-yl)benzo[c]carbazol-10-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• SMILES: CC1(C)c2ccccc2-c2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc6c7c(cccc7n5)Oc5ccccc5-6)cc4c4c5ccccc5ccc43)ccc21
• InChI: InChI=1S/C57H36N4O/c1-57(2)44-17-8-5-14-38(44)41-32-36(25-26-45(41)57)60-49-28-24-35(31-43(49)53-37-13-4-3-12-33(37)22-29-50(53)60)34-23-27-48-42(30-34)39-15-6-9-19-47(39)61(48)56-58-46-18-11-21-52-54(46)55(59-56)40-16-7-10-20-51(40)62-52/h3-32H,1-2H3
• InChIKey: PQHSAHWIHPOZAU-UHFFFAOYSA-N
• XLogP: 14.72
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.94
LogP ≤ 5	14.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 15-[3-[7-(9,9-dimethylfluoren-3-yl)benzo[c]carbazol-10-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The IUPAC name of 15-[3-[7-(9,9-dimethylfluoren-3-yl)benzo[c]carbazol-10-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 129297940) is 15-[3-[7-(9,9-dimethylfluoren-3-yl)benzo[c]carbazol-10-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

What is the SMILES notation for 15-[3-[7-(9,9-dimethylfluoren-3-yl)benzo[c]carbazol-10-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The canonical SMILES for 15-[3-[7-(9,9-dimethylfluoren-3-yl)benzo[c]carbazol-10-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is CC1(C)c2ccccc2-c2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc6c7c(cccc7n5)Oc5ccccc5-6)cc4c4c5ccccc5ccc43)ccc21.

What is the InChIKey of 15-[3-[7-(9,9-dimethylfluoren-3-yl)benzo[c]carbazol-10-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The InChIKey is PQHSAHWIHPOZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O/c1-57(2)44-17-8-5-14-38(44)41-32-36(25-26-45(41)57)60-49-28-24-35(31-43(49)53-37-13-4-3-12-33(37)22-29-50(53)60)34-23-27-48-42(30-34)39-15-6-9-19-47(39)61(48)56-58-46-18-11-21-52-54(46)55(59-56)40-16-7-10-20-51(40)62-52/h3-32H,1-2H3.

What are the key properties of 15-[3-[7-(9,9-dimethylfluoren-3-yl)benzo[c]carbazol-10-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

15-[3-[7-(9,9-dimethylfluoren-3-yl)benzo[c]carbazol-10-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 792.94 g/mol, XLogP of 14.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[3-[7-(9,9-dimethylfluoren-3-yl)benzo[c]carbazol-10-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 129297940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).