4,12-bis(9-phenylcarbazol-3-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

C231H142N20O2SSe — CID 157375843

About 4,12-bis(9-phenylcarbazol-3-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

4,12-bis(9-phenylcarbazol-3-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (PubChem CID 157375843) has the molecular formula C231H142N20O2SSe and a molecular weight of 3340.84 g/mol. Its IUPAC name is 4,12-bis(9-phenylcarbazol-3-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.

Molecular Properties

• Compound Name: 4,12-bis(9-phenylcarbazol-3-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
• PubChem CID: 157375843
• Molecular Formula: C231H142N20O2SSe
• Molecular Weight: 3340.84 g/mol
• Exact Mass: 3339.05
• IUPAC Name: 4,12-bis(9-phenylcarbazol-3-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4cc5c(cn4)Cc4cnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc4-5)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c(cn4)[se]c4cnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c(cn4)oc4cnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c(cn4)sc4cnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)nc6c5n4)cc32)cc1
• InChI: InChI=1S/C47H30N4.2C46H28N4O.C46H28N4S.C46H28N4Se/c1-3-11-34(12-4-1)50-44-17-9-7-15-36(44)40-24-30(19-21-46(40)50)42-26-38-32(28-48-42)23-33-29-49-43(27-39(33)38)31-20-22-47-41(25-31)37-16-8-10-18-45(37)51(47)35-13-5-2-6-14-35;1-3-11-31(12-4-1)49-41-17-9-7-15-33(41)35-23-29(19-21-43(35)49)39-25-37-38-26-40(48-28-46(38)51-45(37)27-47-39)30-20-22-44-36(24-30)34-16-8-10-18-42(34)50(44)32-13-5-2-6-14-32;1-3-11-31(12-4-1)49-39-17-9-7-15-33(39)35-21-19-29(27-41(35)49)37-23-25-43-45(47-37)46-44(51-43)26-24-38(48-46)30-20-22-36-34-16-8-10-18-40(34)50(42(36)28-30)32-13-5-2-6-14-32;2*1-3-11-31(12-4-1)49-41-17-9-7-15-33(41)35-23-29(19-21-43(35)49)39-25-37-38-26-40(48-28-46(38)51-45(37)27-47-39)30-20-22-44-36(24-30)34-16-8-10-18-42(34)50(44)32-13-5-2-6-14-32/h1-22,24-29H,23H2;4*1-28H
• InChIKey: BKHYDNFRLZSBKV-UHFFFAOYSA-N
• XLogP: 59.13
• TPSA: 204.48 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 255
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3340.84
LogP ≤ 5	59.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,12-bis(9-phenylcarbazol-3-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?

The IUPAC name of 4,12-bis(9-phenylcarbazol-3-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (CID 157375843) is 4,12-bis(9-phenylcarbazol-3-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.

What is the SMILES notation for 4,12-bis(9-phenylcarbazol-3-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?

The canonical SMILES for 4,12-bis(9-phenylcarbazol-3-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is c1ccc(-n2c3ccccc3c3cc(-c4cc5c(cn4)Cc4cnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc4-5)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c(cn4)[se]c4cnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c(cn4)oc4cnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c(cn4)sc4cnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)nc6c5n4)cc32)cc1.

What is the InChIKey of 4,12-bis(9-phenylcarbazol-3-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?

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

What are the key properties of 4,12-bis(9-phenylcarbazol-3-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?

4,12-bis(9-phenylcarbazol-3-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene has a molecular weight of 3340.84 g/mol, XLogP of 59.13, 20 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4,12-bis(9-phenylcarbazol-3-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is sourced from PubChem (CID 157375843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).