5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole;5-[4-[2-[4-[2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)sulfanylphenyl]pyrido[4,3-b]indole;8-[4-[4-[[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[4-[1,4,4-tris(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole

C237H168N22OS — CID 159567595

About 5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole;5-[4-[2-[4-[2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)sulfanylphenyl]pyrido[4,3-b]indole;8-[4-[4-[[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[4-[1,4,4-tris(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole

5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole;5-[4-[2-[4-[2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)sulfanylphenyl]pyrido[4,3-b]indole;8-[4-[4-[[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[4-[1,4,4-tris(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole (PubChem CID 159567595) has the molecular formula C237H168N22OS and a molecular weight of 3372.17 g/mol. Its IUPAC name is 5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole;5-[4-[2-[4-[2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)sulfanylphenyl]pyrido[4,3-b]indole;8-[4-[4-[[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[4-[1,4,4-tris(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole;5-[4-[2-[4-[2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)sulfanylphenyl]pyrido[4,3-b]indole;8-[4-[4-[[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[4-[1,4,4-tris(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole
• PubChem CID: 159567595
• Molecular Formula: C237H168N22OS
• Molecular Weight: 3372.17 g/mol
• Exact Mass: 3369.35
• IUPAC Name: 5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole;5-[4-[2-[4-[2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)sulfanylphenyl]pyrido[4,3-b]indole;8-[4-[4-[[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[4-[1,4,4-tris(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole
• SMILES: CC(C)(c1ccc(-n2c3ccccc3c3cnccc32)cc1)c1ccc(C(C)(C)c2ccc(-n3c4ccccc4c4cnccc43)cc2)cc1.c1cc2c(cn1)c1cnccc1n2-c1ccc(-c2ccc(Cc3ccc(-c4ccc(-n5c6ccncc6c6cnccc65)cc4)cc3)cc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)CCC(c3ccc(-n4c5ccccc5c5ccccc54)cc3)(c3ccc(-n4c5ccccc5c5ccccc54)cc3)CC2)cc1.c1ccc2c(c1)c1cnccc1n2-c1ccc(Oc2ccc(-n3c4ccccc4c4cnccc43)cc2)cc1.c1ccc2c(c1)c1cnccc1n2-c1ccc(Sc2ccc(-n3c4ccccc4c4cnccc43)cc2)cc1
• InChI: InChI=1S/C78H56N4.C46H38N4.C45H30N6.C34H22N4O.C34H22N4S/c1-9-25-69-61(17-1)62-18-2-10-26-70(62)79(69)57-41-33-53(34-42-57)77(54-35-43-58(44-36-54)80-71-27-11-3-19-63(71)64-20-4-12-28-72(64)80)49-51-78(52-50-77,55-37-45-59(46-38-55)81-73-29-13-5-21-65(73)66-22-6-14-30-74(66)81)56-39-47-60(48-40-56)82-75-31-15-7-23-67(75)68-24-8-16-32-76(68)82;1-45(2,33-17-21-35(22-18-33)49-41-11-7-5-9-37(41)39-29-47-27-25-43(39)49)31-13-15-32(16-14-31)46(3,4)34-19-23-36(24-20-34)50-42-12-8-6-10-38(42)40-30-48-28-26-44(40)50;1-5-32(34-9-13-36(14-10-34)50-42-17-21-46-26-38(42)39-27-47-22-18-43(39)50)6-2-30(1)25-31-3-7-33(8-4-31)35-11-15-37(16-12-35)51-44-19-23-48-28-40(44)41-29-49-24-20-45(41)51;2*1-3-7-31-27(5-1)29-21-35-19-17-33(29)37(31)23-9-13-25(14-10-23)39-26-15-11-24(12-16-26)38-32-8-4-2-6-28(32)30-22-36-20-18-34(30)38/h1-48H,49-52H2;5-30H,1-4H3;1-24,26-29H,25H2;2*1-22H
• InChIKey: MHJYDTVTEPPROV-UHFFFAOYSA-N
• XLogP: 58.91
• TPSA: 197.29 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 261
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3372.17
LogP ≤ 5	58.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole;5-[4-[2-[4-[2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)sulfanylphenyl]pyrido[4,3-b]indole;8-[4-[4-[[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[4-[1,4,4-tris(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole?

The IUPAC name of 5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole;5-[4-[2-[4-[2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)sulfanylphenyl]pyrido[4,3-b]indole;8-[4-[4-[[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[4-[1,4,4-tris(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole (CID 159567595) is 5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole;5-[4-[2-[4-[2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)sulfanylphenyl]pyrido[4,3-b]indole;8-[4-[4-[[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[4-[1,4,4-tris(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole.

What is the SMILES notation for 5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole;5-[4-[2-[4-[2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)sulfanylphenyl]pyrido[4,3-b]indole;8-[4-[4-[[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[4-[1,4,4-tris(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole?

The canonical SMILES for 5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole;5-[4-[2-[4-[2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)sulfanylphenyl]pyrido[4,3-b]indole;8-[4-[4-[[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[4-[1,4,4-tris(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole is CC(C)(c1ccc(-n2c3ccccc3c3cnccc32)cc1)c1ccc(C(C)(C)c2ccc(-n3c4ccccc4c4cnccc43)cc2)cc1.c1cc2c(cn1)c1cnccc1n2-c1ccc(-c2ccc(Cc3ccc(-c4ccc(-n5c6ccncc6c6cnccc65)cc4)cc3)cc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)CCC(c3ccc(-n4c5ccccc5c5ccccc54)cc3)(c3ccc(-n4c5ccccc5c5ccccc54)cc3)CC2)cc1.c1ccc2c(c1)c1cnccc1n2-c1ccc(Oc2ccc(-n3c4ccccc4c4cnccc43)cc2)cc1.c1ccc2c(c1)c1cnccc1n2-c1ccc(Sc2ccc(-n3c4ccccc4c4cnccc43)cc2)cc1.

What is the InChIKey of 5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole;5-[4-[2-[4-[2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)sulfanylphenyl]pyrido[4,3-b]indole;8-[4-[4-[[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[4-[1,4,4-tris(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole?

The InChIKey is MHJYDTVTEPPROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H56N4.C46H38N4.C45H30N6.C34H22N4O.C34H22N4S/c1-9-25-69-61(17-1)62-18-2-10-26-70(62)79(69)57-41-33-53(34-42-57)77(54-35-43-58(44-36-54)80-71-27-11-3-19-63(71)64-20-4-12-28-72(64)80)49-51-78(52-50-77,55-37-45-59(46-38-55)81-73-29-13-5-21-65(73)66-22-6-14-30-74(66)81)56-39-47-60(48-40-56)82-75-31-15-7-23-67(75)68-24-8-16-32-76(68)82;1-45(2,33-17-21-35(22-18-33)49-41-11-7-5-9-37(41)39-29-47-27-25-43(39)49)31-13-15-32(16-14-31)46(3,4)34-19-23-36(24-20-34)50-42-12-8-6-10-38(42)40-30-48-28-26-44(40)50;1-5-32(34-9-13-36(14-10-34)50-42-17-21-46-26-38(42)39-27-47-22-18-43(39)50)6-2-30(1)25-31-3-7-33(8-4-31)35-11-15-37(16-12-35)51-44-19-23-48-28-40(44)41-29-49-24-20-45(41)51;2*1-3-7-31-27(5-1)29-21-35-19-17-33(29)37(31)23-9-13-25(14-10-23)39-26-15-11-24(12-16-26)38-32-8-4-2-6-28(32)30-22-36-20-18-34(30)38/h1-48H,49-52H2;5-30H,1-4H3;1-24,26-29H,25H2;2*1-22H.

What are the key properties of 5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole;5-[4-[2-[4-[2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)sulfanylphenyl]pyrido[4,3-b]indole;8-[4-[4-[[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[4-[1,4,4-tris(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole?

5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole;5-[4-[2-[4-[2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)sulfanylphenyl]pyrido[4,3-b]indole;8-[4-[4-[[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[4-[1,4,4-tris(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole has a molecular weight of 3372.17 g/mol, XLogP of 58.91, 28 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole;5-[4-[2-[4-[2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)sulfanylphenyl]pyrido[4,3-b]indole;8-[4-[4-[[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[4-[1,4,4-tris(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole is sourced from PubChem (CID 159567595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).