3-dibenzofuran-2-yl-9-pyridin-2-ylcarbazole;3-dibenzothiophen-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole;3-[9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;methane

C181H125N13OS2 — CID 160990652

IUPAC3-dibenzofuran-2-yl-9-pyridin-2-ylcarbazole;3-dibenzothiophen-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole;3-[9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;methane
SMILESC.C.C.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccnc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)c3)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)nc1
InChIInChI=1S/C64H42N4.C45H28N4S.C40H25N3S.C29H18N2O.3CH4/c1-4-16-44(17-5-1)58-42-59(66-64(65-58)45-18-6-2-7-19-45)51-23-15-22-48(39-51)47-21-14-20-46(38-47)43-30-34-53(35-31-43)68-61-29-13-11-27-55(61)57-41-50(33-37-63(57)68)49-32-36-62-56(40-49)54-26-10-12-28-60(54)67(62)52-24-8-3-9-25-52;1-3-12-29(13-4-1)43-46-44(30-14-5-2-6-15-30)48-45(47-43)33-16-11-17-34(26-33)49-39-20-9-7-18-35(39)37-27-31(22-24-40(37)49)32-23-25-42-38(28-32)36-19-8-10-21-41(36)50-42;1-2-9-26(10-3-1)35-21-22-41-40(42-35)29-11-8-12-30(23-29)43-36-15-6-4-13-31(36)33-24-27(17-19-37(33)43)28-18-20-39-34(25-28)32-14-5-7-16-38(32)44-39;1-3-9-25-21(7-1)23-17-19(12-14-26(23)31(25)29-11-5-6-16-30-29)20-13-15-28-24(18-20)22-8-2-4-10-27(22)32-28;;;/h1-42H;1-28H;1-25H;1-18H;3*1H4
InChIKeyTUORIVPNINVQNX-UHFFFAOYSA-N
MW2562.21 g/mol
LogP49.27
Rot. Bonds19

About 3-dibenzofuran-2-yl-9-pyridin-2-ylcarbazole;3-dibenzothiophen-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole;3-[9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;methane

3-dibenzofuran-2-yl-9-pyridin-2-ylcarbazole;3-dibenzothiophen-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole;3-[9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;methane (PubChem CID 160990652) has the molecular formula C181H125N13OS2 and a molecular weight of 2562.21 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-pyridin-2-ylcarbazole;3-dibenzothiophen-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole;3-[9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;methane.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-9-pyridin-2-ylcarbazole;3-dibenzothiophen-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole;3-[9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;methane
PubChem CID160990652
Molecular FormulaC181H125N13OS2
Molecular Weight2562.21 g/mol
Exact Mass2559.96
IUPAC Name3-dibenzofuran-2-yl-9-pyridin-2-ylcarbazole;3-dibenzothiophen-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole;3-[9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;methane
SMILESC.C.C.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccnc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)c3)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)nc1
InChIInChI=1S/C64H42N4.C45H28N4S.C40H25N3S.C29H18N2O.3CH4/c1-4-16-44(17-5-1)58-42-59(66-64(65-58)45-18-6-2-7-19-45)51-23-15-22-48(39-51)47-21-14-20-46(38-47)43-30-34-53(35-31-43)68-61-29-13-11-27-55(61)57-41-50(33-37-63(57)68)49-32-36-62-56(40-49)54-26-10-12-28-60(54)67(62)52-24-8-3-9-25-52;1-3-12-29(13-4-1)43-46-44(30-14-5-2-6-15-30)48-45(47-43)33-16-11-17-34(26-33)49-39-20-9-7-18-35(39)37-27-31(22-24-40(37)49)32-23-25-42-38(28-32)36-19-8-10-21-41(36)50-42;1-2-9-26(10-3-1)35-21-22-41-40(42-35)29-11-8-12-30(23-29)43-36-15-6-4-13-31(36)33-24-27(17-19-37(33)43)28-18-20-39-34(25-28)32-14-5-7-16-38(32)44-39;1-3-9-25-21(7-1)23-17-19(12-14-26(23)31(25)29-11-5-6-16-30-29)20-13-15-28-24(18-20)22-8-2-4-10-27(22)32-28;;;/h1-42H;1-28H;1-25H;1-18H;3*1H4
InChIKeyTUORIVPNINVQNX-UHFFFAOYSA-N
XLogP49.27
TPSA140.91 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms197
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002562.21
LogP ≤ 549.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 3-dibenzofuran-2-yl-9-pyridin-2-ylcarbazole;3-dibenzothiophen-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole;3-[9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-9-pyridin-2-ylcarbazole;3-dibenzothiophen-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole;3-[9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;methane?
The IUPAC name of 3-dibenzofuran-2-yl-9-pyridin-2-ylcarbazole;3-dibenzothiophen-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole;3-[9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;methane (CID 160990652) is 3-dibenzofuran-2-yl-9-pyridin-2-ylcarbazole;3-dibenzothiophen-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole;3-[9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;methane.
What is the SMILES notation for 3-dibenzofuran-2-yl-9-pyridin-2-ylcarbazole;3-dibenzothiophen-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole;3-[9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;methane?
The canonical SMILES for 3-dibenzofuran-2-yl-9-pyridin-2-ylcarbazole;3-dibenzothiophen-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole;3-[9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;methane is C.C.C.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccnc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)c3)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)nc1.
What is the InChIKey of 3-dibenzofuran-2-yl-9-pyridin-2-ylcarbazole;3-dibenzothiophen-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole;3-[9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;methane?
The InChIKey is TUORIVPNINVQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4.C45H28N4S.C40H25N3S.C29H18N2O.3CH4/c1-4-16-44(17-5-1)58-42-59(66-64(65-58)45-18-6-2-7-19-45)51-23-15-22-48(39-51)47-21-14-20-46(38-47)43-30-34-53(35-31-43)68-61-29-13-11-27-55(61)57-41-50(33-37-63(57)68)49-32-36-62-56(40-49)54-26-10-12-28-60(54)67(62)52-24-8-3-9-25-52;1-3-12-29(13-4-1)43-46-44(30-14-5-2-6-15-30)48-45(47-43)33-16-11-17-34(26-33)49-39-20-9-7-18-35(39)37-27-31(22-24-40(37)49)32-23-25-42-38(28-32)36-19-8-10-21-41(36)50-42;1-2-9-26(10-3-1)35-21-22-41-40(42-35)29-11-8-12-30(23-29)43-36-15-6-4-13-31(36)33-24-27(17-19-37(33)43)28-18-20-39-34(25-28)32-14-5-7-16-38(32)44-39;1-3-9-25-21(7-1)23-17-19(12-14-26(23)31(25)29-11-5-6-16-30-29)20-13-15-28-24(18-20)22-8-2-4-10-27(22)32-28;;;/h1-42H;1-28H;1-25H;1-18H;3*1H4.
What are the key properties of 3-dibenzofuran-2-yl-9-pyridin-2-ylcarbazole;3-dibenzothiophen-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole;3-[9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;methane?
3-dibenzofuran-2-yl-9-pyridin-2-ylcarbazole;3-dibenzothiophen-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole;3-[9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;methane has a molecular weight of 2562.21 g/mol, XLogP of 49.27, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-9-pyridin-2-ylcarbazole;3-dibenzothiophen-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole;3-[9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;methane is sourced from PubChem (CID 160990652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).