3-[3-[4-(benzimidazol-1-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole;3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole;9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole;3-[3-(6-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;9-dibenzothiophen-4-yl-3,6-bis(2-pyridin-2-ylphenyl)carbazole

C239H164N14O6S2 — CID 160574684

IUPAC3-[3-[4-(benzimidazol-1-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole;3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole;9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole;3-[3-(6-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;9-dibenzothiophen-4-yl-3,6-bis(2-pyridin-2-ylphenyl)carbazole
SMILESCC(C)c1cc(-c2cccc3c2ncn3COCn2c3ccccc3c3ccccc32)c2oc3c(-n4ccnc4C4CCCCC4)cc(C(C)C)cc3c2c1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccn4)ccc2n3-c2cccc3c2sc2ccccc23)nc1.c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5cc(-n6c7ccccc7c7ccccc76)cc6c5sc5ccccc56)cc5c4oc4ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cc(-n6cnc7ccccc76)c6oc7ccccc7c6c5)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6oc7c(-c8ccc9oc%10ccccc%10c9c8)cccc7c6c5)c4)ccc32)cc1
InChIInChI=1S/C54H32N2OS.C48H47N5O2.C48H29NO2.C46H29N3S.C43H27N3O/c1-2-14-35(15-3-1)55-49-23-11-6-18-39(49)44-28-33(26-27-50(44)55)42-29-34(30-45-40-19-7-12-24-51(40)57-53(42)45)43-31-36(32-46-41-20-8-13-25-52(41)58-54(43)46)56-47-21-9-4-16-37(47)38-17-5-10-22-48(38)56;1-30(2)33-23-38(46-39(24-33)40-25-34(31(3)4)26-44(47(40)55-46)52-22-21-49-48(52)32-13-6-5-7-14-32)37-17-12-20-43-45(37)50-27-51(43)28-54-29-53-41-18-10-8-15-35(41)36-16-9-11-19-42(36)53;1-2-12-35(13-3-1)49-43-18-6-4-14-37(43)40-27-32(20-23-44(40)49)30-10-8-11-31(26-30)33-21-24-47-42(28-33)39-17-9-16-36(48(39)51-47)34-22-25-46-41(29-34)38-15-5-7-19-45(38)50-46;1-3-14-34(40-18-7-9-26-47-40)32(12-1)30-22-24-42-38(28-30)39-29-31(33-13-2-4-15-35(33)41-19-8-10-27-48-41)23-25-43(39)49(42)44-20-11-17-37-36-16-5-6-21-45(36)50-46(37)44;1-2-13-32(14-3-1)46-38-18-7-4-15-33(38)35-24-30(21-22-39(35)46)28-11-10-12-29(23-28)31-25-36-34-16-5-9-20-42(34)47-43(36)41(26-31)45-27-44-37-17-6-8-19-40(37)45/h1-32H;8-12,15-27,30-32H,5-7,13-14,28-29H2,1-4H3;1-29H;1-29H;1-27H
InChIKeyRAZMQEUGGCOBDC-UHFFFAOYSA-N
MW3392.17 g/mol
LogP65.85
Rot. Bonds26

About 3-[3-[4-(benzimidazol-1-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole;3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole;9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole;3-[3-(6-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;9-dibenzothiophen-4-yl-3,6-bis(2-pyridin-2-ylphenyl)carbazole

3-[3-[4-(benzimidazol-1-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole;3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole;9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole;3-[3-(6-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;9-dibenzothiophen-4-yl-3,6-bis(2-pyridin-2-ylphenyl)carbazole (PubChem CID 160574684) has the molecular formula C239H164N14O6S2 and a molecular weight of 3392.17 g/mol. Its IUPAC name is 3-[3-[4-(benzimidazol-1-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole;3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole;9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole;3-[3-(6-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;9-dibenzothiophen-4-yl-3,6-bis(2-pyridin-2-ylphenyl)carbazole.

Molecular Properties

Compound Name3-[3-[4-(benzimidazol-1-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole;3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole;9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole;3-[3-(6-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;9-dibenzothiophen-4-yl-3,6-bis(2-pyridin-2-ylphenyl)carbazole
PubChem CID160574684
Molecular FormulaC239H164N14O6S2
Molecular Weight3392.17 g/mol
Exact Mass3389.24
IUPAC Name3-[3-[4-(benzimidazol-1-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole;3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole;9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole;3-[3-(6-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;9-dibenzothiophen-4-yl-3,6-bis(2-pyridin-2-ylphenyl)carbazole
SMILESCC(C)c1cc(-c2cccc3c2ncn3COCn2c3ccccc3c3ccccc32)c2oc3c(-n4ccnc4C4CCCCC4)cc(C(C)C)cc3c2c1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccn4)ccc2n3-c2cccc3c2sc2ccccc23)nc1.c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5cc(-n6c7ccccc7c7ccccc76)cc6c5sc5ccccc56)cc5c4oc4ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cc(-n6cnc7ccccc76)c6oc7ccccc7c6c5)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6oc7c(-c8ccc9oc%10ccccc%10c9c8)cccc7c6c5)c4)ccc32)cc1
InChIInChI=1S/C54H32N2OS.C48H47N5O2.C48H29NO2.C46H29N3S.C43H27N3O/c1-2-14-35(15-3-1)55-49-23-11-6-18-39(49)44-28-33(26-27-50(44)55)42-29-34(30-45-40-19-7-12-24-51(40)57-53(42)45)43-31-36(32-46-41-20-8-13-25-52(41)58-54(43)46)56-47-21-9-4-16-37(47)38-17-5-10-22-48(38)56;1-30(2)33-23-38(46-39(24-33)40-25-34(31(3)4)26-44(47(40)55-46)52-22-21-49-48(52)32-13-6-5-7-14-32)37-17-12-20-43-45(37)50-27-51(43)28-54-29-53-41-18-10-8-15-35(41)36-16-9-11-19-42(36)53;1-2-12-35(13-3-1)49-43-18-6-4-14-37(43)40-27-32(20-23-44(40)49)30-10-8-11-31(26-30)33-21-24-47-42(28-33)39-17-9-16-36(48(39)51-47)34-22-25-46-41(29-34)38-15-5-7-19-45(38)50-46;1-3-14-34(40-18-7-9-26-47-40)32(12-1)30-22-24-42-38(28-30)39-29-31(33-13-2-4-15-35(33)41-19-8-10-27-48-41)23-25-43(39)49(42)44-20-11-17-37-36-16-5-6-21-45(36)50-46(37)44;1-2-13-32(14-3-1)46-38-18-7-4-15-33(38)35-24-30(21-22-39(35)46)28-11-10-12-29(23-28)31-25-36-34-16-5-9-20-42(34)47-43(36)41(26-31)45-27-44-37-17-6-8-19-40(37)45/h1-32H;8-12,15-27,30-32H,5-7,13-14,28-29H2,1-4H3;1-29H;1-29H;1-27H
InChIKeyRAZMQEUGGCOBDC-UHFFFAOYSA-N
XLogP65.85
TPSA183.75 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms261
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003392.17
LogP ≤ 565.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 3-[3-[4-(benzimidazol-1-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole;3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole;9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole;3-[3-(6-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;9-dibenzothiophen-4-yl-3,6-bis(2-pyridin-2-ylphenyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(benzimidazol-1-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole;3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole;9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole;3-[3-(6-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;9-dibenzothiophen-4-yl-3,6-bis(2-pyridin-2-ylphenyl)carbazole?
The IUPAC name of 3-[3-[4-(benzimidazol-1-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole;3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole;9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole;3-[3-(6-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;9-dibenzothiophen-4-yl-3,6-bis(2-pyridin-2-ylphenyl)carbazole (CID 160574684) is 3-[3-[4-(benzimidazol-1-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole;3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole;9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole;3-[3-(6-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;9-dibenzothiophen-4-yl-3,6-bis(2-pyridin-2-ylphenyl)carbazole.
What is the SMILES notation for 3-[3-[4-(benzimidazol-1-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole;3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole;9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole;3-[3-(6-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;9-dibenzothiophen-4-yl-3,6-bis(2-pyridin-2-ylphenyl)carbazole?
The canonical SMILES for 3-[3-[4-(benzimidazol-1-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole;3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole;9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole;3-[3-(6-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;9-dibenzothiophen-4-yl-3,6-bis(2-pyridin-2-ylphenyl)carbazole is CC(C)c1cc(-c2cccc3c2ncn3COCn2c3ccccc3c3ccccc32)c2oc3c(-n4ccnc4C4CCCCC4)cc(C(C)C)cc3c2c1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccn4)ccc2n3-c2cccc3c2sc2ccccc23)nc1.c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5cc(-n6c7ccccc7c7ccccc76)cc6c5sc5ccccc56)cc5c4oc4ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cc(-n6cnc7ccccc76)c6oc7ccccc7c6c5)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6oc7c(-c8ccc9oc%10ccccc%10c9c8)cccc7c6c5)c4)ccc32)cc1.
What is the InChIKey of 3-[3-[4-(benzimidazol-1-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole;3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole;9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole;3-[3-(6-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;9-dibenzothiophen-4-yl-3,6-bis(2-pyridin-2-ylphenyl)carbazole?
The InChIKey is RAZMQEUGGCOBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2OS.C48H47N5O2.C48H29NO2.C46H29N3S.C43H27N3O/c1-2-14-35(15-3-1)55-49-23-11-6-18-39(49)44-28-33(26-27-50(44)55)42-29-34(30-45-40-19-7-12-24-51(40)57-53(42)45)43-31-36(32-46-41-20-8-13-25-52(41)58-54(43)46)56-47-21-9-4-16-37(47)38-17-5-10-22-48(38)56;1-30(2)33-23-38(46-39(24-33)40-25-34(31(3)4)26-44(47(40)55-46)52-22-21-49-48(52)32-13-6-5-7-14-32)37-17-12-20-43-45(37)50-27-51(43)28-54-29-53-41-18-10-8-15-35(41)36-16-9-11-19-42(36)53;1-2-12-35(13-3-1)49-43-18-6-4-14-37(43)40-27-32(20-23-44(40)49)30-10-8-11-31(26-30)33-21-24-47-42(28-33)39-17-9-16-36(48(39)51-47)34-22-25-46-41(29-34)38-15-5-7-19-45(38)50-46;1-3-14-34(40-18-7-9-26-47-40)32(12-1)30-22-24-42-38(28-30)39-29-31(33-13-2-4-15-35(33)41-19-8-10-27-48-41)23-25-43(39)49(42)44-20-11-17-37-36-16-5-6-21-45(36)50-46(37)44;1-2-13-32(14-3-1)46-38-18-7-4-15-33(38)35-24-30(21-22-39(35)46)28-11-10-12-29(23-28)31-25-36-34-16-5-9-20-42(34)47-43(36)41(26-31)45-27-44-37-17-6-8-19-40(37)45/h1-32H;8-12,15-27,30-32H,5-7,13-14,28-29H2,1-4H3;1-29H;1-29H;1-27H.
What are the key properties of 3-[3-[4-(benzimidazol-1-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole;3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole;9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole;3-[3-(6-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;9-dibenzothiophen-4-yl-3,6-bis(2-pyridin-2-ylphenyl)carbazole?
3-[3-[4-(benzimidazol-1-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole;3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole;9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole;3-[3-(6-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;9-dibenzothiophen-4-yl-3,6-bis(2-pyridin-2-ylphenyl)carbazole has a molecular weight of 3392.17 g/mol, XLogP of 65.85, 26 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(benzimidazol-1-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole;3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole;9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole;3-[3-(6-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;9-dibenzothiophen-4-yl-3,6-bis(2-pyridin-2-ylphenyl)carbazole is sourced from PubChem (CID 160574684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).