9-[8-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3-carbonitrile;8-[9-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[8-[4-[(2S)-2-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3,6-dicarbonitrile;9-[(2S)-2-(3,6-dicyclohexylcarbazol-9-yl)-4,5-dimethylcyclohexyl]carbazole-3,6-dicarbonitrile

C243H180N18O5 — CID 158096183

About 9-[8-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3-carbonitrile;8-[9-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[8-[4-[(2S)-2-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3,6-dicarbonitrile;9-[(2S)-2-(3,6-dicyclohexylcarbazol-9-yl)-4,5-dimethylcyclohexyl]carbazole-3,6-dicarbonitrile

9-[8-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3-carbonitrile;8-[9-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[8-[4-[(2S)-2-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3,6-dicarbonitrile;9-[(2S)-2-(3,6-dicyclohexylcarbazol-9-yl)-4,5-dimethylcyclohexyl]carbazole-3,6-dicarbonitrile (PubChem CID 158096183) has the molecular formula C243H180N18O5 and a molecular weight of 3432.23 g/mol. Its IUPAC name is 9-[8-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3-carbonitrile;8-[9-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[8-[4-[(2S)-2-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3,6-dicarbonitrile;9-[(2S)-2-(3,6-dicyclohexylcarbazol-9-yl)-4,5-dimethylcyclohexyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

• Compound Name: 9-[8-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3-carbonitrile;8-[9-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[8-[4-[(2S)-2-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3,6-dicarbonitrile;9-[(2S)-2-(3,6-dicyclohexylcarbazol-9-yl)-4,5-dimethylcyclohexyl]carbazole-3,6-dicarbonitrile
• PubChem CID: 158096183
• Molecular Formula: C243H180N18O5
• Molecular Weight: 3432.23 g/mol
• Exact Mass: 3429.44
• IUPAC Name: 9-[8-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3-carbonitrile;8-[9-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[8-[4-[(2S)-2-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3,6-dicarbonitrile;9-[(2S)-2-(3,6-dicyclohexylcarbazol-9-yl)-4,5-dimethylcyclohexyl]carbazole-3,6-dicarbonitrile
• SMILES: CC1CC(n2c3ccc(C#N)cc3c3cc(C#N)ccc32)[C@@H](n2c3ccc(C4CCCCC4)cc3c3cc(C4CCCCC4)ccc32)CC1C.N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccnc2c1oc1ccc(-c3ccc(C4CCCC[C@@H]4c4ccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)cc4)cc3)cc12.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccnc2c1oc1ccc(-c3ccc(C4CCCC[C@@H]4c4ccc(-c5ccc6oc7c(-n8c9ccccc9c9ccccc98)cccc7c6c5)cc4)cc3)cc12.c1cc(-n2c3ccccc3c3ccccc32)c2oc3ccc(-c4ccc([C@H]5CCCCC5c5ccc(-n6c7ccccc7c7cc(-n8c9ccncc9c9cnccc98)ccc76)cc5)cc4)cc3c2c1
• InChI: InChI=1S/C67H43N5O2.C66H44N4O2.C64H45N5O.C46H48N4/c68-38-40-13-26-60-53(33-40)54-34-41(39-69)14-27-61(54)72(60)62-31-32-70-66-57-37-45(22-30-65(57)74-67(62)66)42-15-17-43(18-16-42)49-7-1-2-8-50(49)44-19-24-48(25-20-44)71-58-11-5-3-9-51(58)55-35-46(21-28-59(55)71)47-23-29-64-56(36-47)52-10-4-6-12-63(52)73-64;67-39-40-20-31-59-53(36-40)51-14-5-8-18-58(51)70(59)61-34-35-68-64-55-38-46(30-33-63(55)72-66(61)64)42-23-27-44(28-24-42)48-11-2-1-10-47(48)43-25-21-41(22-26-43)45-29-32-62-54(37-45)52-15-9-19-60(65(52)71-62)69-56-16-6-3-12-49(56)50-13-4-7-17-57(50)69;1-2-11-47(42-24-27-44(28-25-42)67-56-16-6-5-14-50(56)52-37-45(29-30-59(52)67)68-60-32-34-65-38-54(60)55-39-66-35-33-61(55)68)46(10-1)41-22-20-40(21-23-41)43-26-31-63-53(36-43)51-15-9-19-62(64(51)70-63)69-57-17-7-3-12-48(57)49-13-4-8-18-58(49)69;1-29-21-45(49-41-17-13-31(27-47)23-37(41)38-24-32(28-48)14-18-42(38)49)46(22-30(29)2)50-43-19-15-35(33-9-5-3-6-10-33)25-39(43)40-26-36(16-20-44(40)50)34-11-7-4-8-12-34/h3-6,9-37,49-50H,1-2,7-8H2;3-9,12-38,47-48H,1-2,10-11H2;3-9,12-39,46-47H,1-2,10-11H2;13-20,23-26,29-30,33-34,45-46H,3-12,21-22H2,1-2H3/t49?,50-;47-,48?;46-,47?;29?,30?,45?,46-/m1110/s1
• InChIKey: FORRYZSYJPOHRQ-LWWIOZTPSA-N
• XLogP: 64.68
• TPSA: 280.58 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 266
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3432.23
LogP ≤ 5	64.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 9-[8-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3-carbonitrile;8-[9-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[8-[4-[(2S)-2-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3,6-dicarbonitrile;9-[(2S)-2-(3,6-dicyclohexylcarbazol-9-yl)-4,5-dimethylcyclohexyl]carbazole-3,6-dicarbonitrile?

The IUPAC name of 9-[8-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3-carbonitrile;8-[9-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[8-[4-[(2S)-2-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3,6-dicarbonitrile;9-[(2S)-2-(3,6-dicyclohexylcarbazol-9-yl)-4,5-dimethylcyclohexyl]carbazole-3,6-dicarbonitrile (CID 158096183) is 9-[8-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3-carbonitrile;8-[9-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[8-[4-[(2S)-2-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3,6-dicarbonitrile;9-[(2S)-2-(3,6-dicyclohexylcarbazol-9-yl)-4,5-dimethylcyclohexyl]carbazole-3,6-dicarbonitrile.

What is the SMILES notation for 9-[8-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3-carbonitrile;8-[9-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[8-[4-[(2S)-2-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3,6-dicarbonitrile;9-[(2S)-2-(3,6-dicyclohexylcarbazol-9-yl)-4,5-dimethylcyclohexyl]carbazole-3,6-dicarbonitrile?

The canonical SMILES for 9-[8-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3-carbonitrile;8-[9-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[8-[4-[(2S)-2-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3,6-dicarbonitrile;9-[(2S)-2-(3,6-dicyclohexylcarbazol-9-yl)-4,5-dimethylcyclohexyl]carbazole-3,6-dicarbonitrile is CC1CC(n2c3ccc(C#N)cc3c3cc(C#N)ccc32)[C@@H](n2c3ccc(C4CCCCC4)cc3c3cc(C4CCCCC4)ccc32)CC1C.N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccnc2c1oc1ccc(-c3ccc(C4CCCC[C@@H]4c4ccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)cc4)cc3)cc12.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccnc2c1oc1ccc(-c3ccc(C4CCCC[C@@H]4c4ccc(-c5ccc6oc7c(-n8c9ccccc9c9ccccc98)cccc7c6c5)cc4)cc3)cc12.c1cc(-n2c3ccccc3c3ccccc32)c2oc3ccc(-c4ccc([C@H]5CCCCC5c5ccc(-n6c7ccccc7c7cc(-n8c9ccncc9c9cnccc98)ccc76)cc5)cc4)cc3c2c1.

What is the InChIKey of 9-[8-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3-carbonitrile;8-[9-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[8-[4-[(2S)-2-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3,6-dicarbonitrile;9-[(2S)-2-(3,6-dicyclohexylcarbazol-9-yl)-4,5-dimethylcyclohexyl]carbazole-3,6-dicarbonitrile?

The InChIKey is FORRYZSYJPOHRQ-LWWIOZTPSA-N. The full InChI is InChI=1S/C67H43N5O2.C66H44N4O2.C64H45N5O.C46H48N4/c68-38-40-13-26-60-53(33-40)54-34-41(39-69)14-27-61(54)72(60)62-31-32-70-66-57-37-45(22-30-65(57)74-67(62)66)42-15-17-43(18-16-42)49-7-1-2-8-50(49)44-19-24-48(25-20-44)71-58-11-5-3-9-51(58)55-35-46(21-28-59(55)71)47-23-29-64-56(36-47)52-10-4-6-12-63(52)73-64;67-39-40-20-31-59-53(36-40)51-14-5-8-18-58(51)70(59)61-34-35-68-64-55-38-46(30-33-63(55)72-66(61)64)42-23-27-44(28-24-42)48-11-2-1-10-47(48)43-25-21-41(22-26-43)45-29-32-62-54(37-45)52-15-9-19-60(65(52)71-62)69-56-16-6-3-12-49(56)50-13-4-7-17-57(50)69;1-2-11-47(42-24-27-44(28-25-42)67-56-16-6-5-14-50(56)52-37-45(29-30-59(52)67)68-60-32-34-65-38-54(60)55-39-66-35-33-61(55)68)46(10-1)41-22-20-40(21-23-41)43-26-31-63-53(36-43)51-15-9-19-62(64(51)70-63)69-57-17-7-3-12-48(57)49-13-4-8-18-58(49)69;1-29-21-45(49-41-17-13-31(27-47)23-37(41)38-24-32(28-48)14-18-42(38)49)46(22-30(29)2)50-43-19-15-35(33-9-5-3-6-10-33)25-39(43)40-26-36(16-20-44(40)50)34-11-7-4-8-12-34/h3-6,9-37,49-50H,1-2,7-8H2;3-9,12-38,47-48H,1-2,10-11H2;3-9,12-39,46-47H,1-2,10-11H2;13-20,23-26,29-30,33-34,45-46H,3-12,21-22H2,1-2H3/t49?,50-;47-,48?;46-,47?;29?,30?,45?,46-/m1110/s1.

What are the key properties of 9-[8-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3-carbonitrile;8-[9-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[8-[4-[(2S)-2-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3,6-dicarbonitrile;9-[(2S)-2-(3,6-dicyclohexylcarbazol-9-yl)-4,5-dimethylcyclohexyl]carbazole-3,6-dicarbonitrile?

9-[8-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3-carbonitrile;8-[9-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[8-[4-[(2S)-2-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3,6-dicarbonitrile;9-[(2S)-2-(3,6-dicyclohexylcarbazol-9-yl)-4,5-dimethylcyclohexyl]carbazole-3,6-dicarbonitrile has a molecular weight of 3432.23 g/mol, XLogP of 64.68, 22 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[8-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3-carbonitrile;8-[9-[4-[(2S)-2-[4-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]cyclohexyl]phenyl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;9-[8-[4-[(2S)-2-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]cyclohexyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]carbazole-3,6-dicarbonitrile;9-[(2S)-2-(3,6-dicyclohexylcarbazol-9-yl)-4,5-dimethylcyclohexyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 158096183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).