11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C185H114N16OSSe — CID 157454266

About 11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 157454266) has the molecular formula C185H114N16OSSe and a molecular weight of 2688.08 g/mol. Its IUPAC name is 11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

• Compound Name: 11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• PubChem CID: 157454266
• Molecular Formula: C185H114N16OSSe
• Molecular Weight: 2688.08 g/mol
• Exact Mass: 2686.82
• IUPAC Name: 11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4ccc5[se]c6cc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)cnc6c5n4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(n4)-c4ncc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cc4C5)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5oc6cc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)cnc6c5n4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5sc6cc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)cnc6c5n4)cc32)cc1
• InChI: InChI=1S/C47H30N4.C46H28N4O.C46H28N4S.C46H28N4Se/c1-3-12-34(13-4-1)50-42-20-9-7-16-37(42)39-24-22-30(28-44(39)50)41-25-23-31-26-32-27-33(29-48-45(32)46(31)49-41)36-18-11-19-40-38-17-8-10-21-43(38)51(47(36)40)35-14-5-2-6-15-35;3*1-3-12-31(13-4-1)49-39-20-9-7-16-34(39)36-23-22-29(26-41(36)49)38-24-25-42-45(48-38)44-43(51-42)27-30(28-47-44)33-18-11-19-37-35-17-8-10-21-40(35)50(46(33)37)32-14-5-2-6-15-32/h1-25,27-29H,26H2;3*1-28H
• InChIKey: BTDYFAUNRQJGDO-UHFFFAOYSA-N
• XLogP: 47.22
• TPSA: 155.70 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2688.08
LogP ≤ 5	47.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The IUPAC name of 11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 157454266) is 11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

What is the SMILES notation for 11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The canonical SMILES for 11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5[se]c6cc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)cnc6c5n4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(n4)-c4ncc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cc4C5)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5oc6cc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)cnc6c5n4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5sc6cc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)cnc6c5n4)cc32)cc1.

What is the InChIKey of 11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The InChIKey is BTDYFAUNRQJGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4.C46H28N4O.C46H28N4S.C46H28N4Se/c1-3-12-34(13-4-1)50-42-20-9-7-16-37(42)39-24-22-30(28-44(39)50)41-25-23-31-26-32-27-33(29-48-45(32)46(31)49-41)36-18-11-19-40-38-17-8-10-21-43(38)51(47(36)40)35-14-5-2-6-15-35;3*1-3-12-31(13-4-1)49-39-20-9-7-16-34(39)36-23-22-29(26-41(36)49)38-24-25-42-45(48-38)44-43(51-42)27-30(28-47-44)33-18-11-19-37-35-17-8-10-21-40(35)50(46(33)37)32-14-5-2-6-15-32/h1-25,27-29H,26H2;3*1-28H.

What are the key properties of 11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 2688.08 g/mol, XLogP of 47.22, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(9-phenylcarbazol-1-yl)-4-(9-phenylcarbazol-2-yl)-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 157454266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).