4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyltriazino[4,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyrimido[5,4-b]indol-7-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C170H98N30O4 — CID 159148773

About 4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyltriazino[4,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyrimido[5,4-b]indol-7-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyltriazino[4,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyrimido[5,4-b]indol-7-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 159148773) has the molecular formula C170H98N30O4 and a molecular weight of 2624.86 g/mol. Its IUPAC name is 4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyltriazino[4,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyrimido[5,4-b]indol-7-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

• Compound Name: 4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyltriazino[4,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyrimido[5,4-b]indol-7-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• PubChem CID: 159148773
• Molecular Formula: C170H98N30O4
• Molecular Weight: 2624.86 g/mol
• Exact Mass: 2622.84
• IUPAC Name: 4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyltriazino[4,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyrimido[5,4-b]indol-7-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• SMILES: c1ccc(-n2c3cc(-c4ccc5oc6ccc(-c7ccc8c9ncnnc9n(-c9ccccc9)c8c7)nc6c5n4)ccc3c3ncncc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccc(-c7ccc8c9cnnnc9n(-c9ccccc9)c8c7)nc6c5n4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccc(-c7ccc8c9nncnc9n(-c9ccccc9)c8c7)nc6c5n4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccc(-c7ccc8c9nnncc9n(-c9ccccc9)c8c7)nc6c5n4)cc32)cc1
• InChI: InChI=1S/3C43H25N7O.C41H23N9O/c1-3-9-28(10-4-1)49-36-14-8-7-13-30(36)31-17-15-26(23-37(31)49)34-19-21-39-41(45-34)42-40(51-39)22-20-35(46-42)27-16-18-32-33-25-44-48-47-43(33)50(38(32)24-27)29-11-5-2-6-12-29;1-3-9-28(10-4-1)49-35-14-8-7-13-30(35)31-17-15-26(23-36(31)49)33-19-21-39-42(45-33)43-40(51-39)22-20-34(46-43)27-16-18-32-37(24-27)50(29-11-5-2-6-12-29)38-25-44-48-47-41(32)38;1-3-9-28(10-4-1)49-35-14-8-7-13-30(35)31-17-15-26(23-36(31)49)33-19-21-38-41(46-33)42-39(51-38)22-20-34(47-42)27-16-18-32-37(24-27)50(29-11-5-2-6-12-29)43-40(32)48-45-25-44-43;1-3-7-26(8-4-1)49-32-19-24(11-13-28(32)37-34(49)21-42-22-43-37)30-15-17-35-39(46-30)40-36(51-35)18-16-31(47-40)25-12-14-29-33(20-25)50(27-9-5-2-6-10-27)41-38(29)44-23-45-48-41/h3*1-25H;1-23H
• InChIKey: KIZZAHVKPMTDCT-UHFFFAOYSA-N
• XLogP: 39.15
• TPSA: 375.58 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 16
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2624.86
LogP ≤ 5	39.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyltriazino[4,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyrimido[5,4-b]indol-7-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The IUPAC name of 4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyltriazino[4,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyrimido[5,4-b]indol-7-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 159148773) is 4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyltriazino[4,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyrimido[5,4-b]indol-7-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

What is the SMILES notation for 4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyltriazino[4,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyrimido[5,4-b]indol-7-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The canonical SMILES for 4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyltriazino[4,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyrimido[5,4-b]indol-7-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc(-n2c3cc(-c4ccc5oc6ccc(-c7ccc8c9ncnnc9n(-c9ccccc9)c8c7)nc6c5n4)ccc3c3ncncc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccc(-c7ccc8c9cnnnc9n(-c9ccccc9)c8c7)nc6c5n4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccc(-c7ccc8c9nncnc9n(-c9ccccc9)c8c7)nc6c5n4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccc(-c7ccc8c9nnncc9n(-c9ccccc9)c8c7)nc6c5n4)cc32)cc1.

What is the InChIKey of 4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyltriazino[4,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyrimido[5,4-b]indol-7-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The InChIKey is KIZZAHVKPMTDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C43H25N7O.C41H23N9O/c1-3-9-28(10-4-1)49-36-14-8-7-13-30(36)31-17-15-26(23-37(31)49)34-19-21-39-41(45-34)42-40(51-39)22-20-35(46-42)27-16-18-32-33-25-44-48-47-43(33)50(38(32)24-27)29-11-5-2-6-12-29;1-3-9-28(10-4-1)49-35-14-8-7-13-30(35)31-17-15-26(23-36(31)49)33-19-21-39-42(45-33)43-40(51-39)22-20-34(46-43)27-16-18-32-37(24-27)50(29-11-5-2-6-12-29)38-25-44-48-47-41(32)38;1-3-9-28(10-4-1)49-35-14-8-7-13-30(35)31-17-15-26(23-36(31)49)33-19-21-38-41(46-33)42-39(51-38)22-20-34(47-42)27-16-18-32-37(24-27)50(29-11-5-2-6-12-29)43-40(32)48-45-25-44-43;1-3-7-26(8-4-1)49-32-19-24(11-13-28(32)37-34(49)21-42-22-43-37)30-15-17-35-39(46-30)40-36(51-35)18-16-31(47-40)25-12-14-29-33(20-25)50(27-9-5-2-6-10-27)41-38(29)44-23-45-48-41/h3*1-25H;1-23H.

What are the key properties of 4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyltriazino[4,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyrimido[5,4-b]indol-7-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyltriazino[4,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyrimido[5,4-b]indol-7-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 2624.86 g/mol, XLogP of 39.15, 16 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(9-phenylcarbazol-2-yl)-12-(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-12-(9-phenyltriazino[4,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(5-phenylpyrimido[5,4-b]indol-7-yl)-12-(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 159148773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).