4-carbazol-9-yl-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(3-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;4-(3-phenylcarbazol-9-yl)-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C96H55N9O4 — CID 159938064

About 4-carbazol-9-yl-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(3-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;4-(3-phenylcarbazol-9-yl)-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

4-carbazol-9-yl-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(3-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;4-(3-phenylcarbazol-9-yl)-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 159938064) has the molecular formula C96H55N9O4 and a molecular weight of 1398.55 g/mol. Its IUPAC name is 4-carbazol-9-yl-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(3-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;4-(3-phenylcarbazol-9-yl)-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

• Compound Name: 4-carbazol-9-yl-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(3-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;4-(3-phenylcarbazol-9-yl)-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• PubChem CID: 159938064
• Molecular Formula: C96H55N9O4
• Molecular Weight: 1398.55 g/mol
• Exact Mass: 1397.44
• IUPAC Name: 4-carbazol-9-yl-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(3-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;4-(3-phenylcarbazol-9-yl)-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• SMILES: c1cc2c3c(cccc3c1)-c1cnc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)nc1O2.c1cc2c3c(cccc3c1)-c1nc(-n3c4ccccc4c4ccccc43)ncc1O2.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ncc3c(n2)-c2cccc4cccc(c24)O3)cc1
• InChI: InChI=1S/C38H21N3O2.C32H19N3O.C26H15N3O/c1-3-12-31-25(9-1)28-19-23(24-16-18-34-29(20-24)26-10-2-4-13-33(26)42-34)15-17-32(28)41(31)38-39-21-30-27-11-5-7-22-8-6-14-35(36(22)27)43-37(30)40-38;1-2-8-20(9-3-1)22-16-17-27-25(18-22)23-12-4-5-14-26(23)35(27)32-33-19-29-31(34-32)24-13-6-10-21-11-7-15-28(36-29)30(21)24;1-3-12-20-17(9-1)18-10-2-4-13-21(18)29(20)26-27-15-23-25(28-26)19-11-5-7-16-8-6-14-22(30-23)24(16)19/h1-21H;1-19H;1-15H
• InChIKey: OANBWKBKUPABPC-UHFFFAOYSA-N
• XLogP: 24.73
• TPSA: 132.96 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1398.55
LogP ≤ 5	24.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(3-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;4-(3-phenylcarbazol-9-yl)-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The IUPAC name of 4-carbazol-9-yl-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(3-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;4-(3-phenylcarbazol-9-yl)-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 159938064) is 4-carbazol-9-yl-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(3-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;4-(3-phenylcarbazol-9-yl)-8-oxa-3,5-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 4-carbazol-9-yl-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(3-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;4-(3-phenylcarbazol-9-yl)-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The canonical SMILES for 4-carbazol-9-yl-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(3-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;4-(3-phenylcarbazol-9-yl)-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is c1cc2c3c(cccc3c1)-c1cnc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)nc1O2.c1cc2c3c(cccc3c1)-c1nc(-n3c4ccccc4c4ccccc43)ncc1O2.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ncc3c(n2)-c2cccc4cccc(c24)O3)cc1.

What is the InChIKey of 4-carbazol-9-yl-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(3-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;4-(3-phenylcarbazol-9-yl)-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The InChIKey is OANBWKBKUPABPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N3O2.C32H19N3O.C26H15N3O/c1-3-12-31-25(9-1)28-19-23(24-16-18-34-29(20-24)26-10-2-4-13-33(26)42-34)15-17-32(28)41(31)38-39-21-30-27-11-5-7-22-8-6-14-35(36(22)27)43-37(30)40-38;1-2-8-20(9-3-1)22-16-17-27-25(18-22)23-12-4-5-14-26(23)35(27)32-33-19-29-31(34-32)24-13-6-10-21-11-7-15-28(36-29)30(21)24;1-3-12-20-17(9-1)18-10-2-4-13-21(18)29(20)26-27-15-23-25(28-26)19-11-5-7-16-8-6-14-22(30-23)24(16)19/h1-21H;1-19H;1-15H.

What are the key properties of 4-carbazol-9-yl-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(3-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;4-(3-phenylcarbazol-9-yl)-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

4-carbazol-9-yl-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(3-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;4-(3-phenylcarbazol-9-yl)-8-oxa-3,5-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 1398.55 g/mol, XLogP of 24.73, 5 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-carbazol-9-yl-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(3-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;4-(3-phenylcarbazol-9-yl)-8-oxa-3,5-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 159938064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).