3,6-bis(4-phenylpyrimidin-2-yl)-9-(4,6,8-tripyridin-3-yldibenzofuran-2-yl)carbazole;2-[3-[2-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1,3-oxazol-2-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole;8-[(2,6-diphenyl-4-pyridinyl)methoxy]-5-[3-[3-[8-[(2,6-diphenyl-4-pyridinyl)methoxy]pyrido[4,3-b]indol-5-yl]phenyl]phenyl]pyrido[4,3-b]indole

C195H130N22O6 — CID 157337041

IUPAC3,6-bis(4-phenylpyrimidin-2-yl)-9-(4,6,8-tripyridin-3-yldibenzofuran-2-yl)carbazole;2-[3-[2-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1,3-oxazol-2-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole;8-[(2,6-diphenyl-4-pyridinyl)methoxy]-5-[3-[3-[8-[(2,6-diphenyl-4-pyridinyl)methoxy]pyrido[4,3-b]indol-5-yl]phenyl]phenyl]pyrido[4,3-b]indole
SMILESCc1nc(-c2cccc(-n3c4ccccc4c4cc(-c5cc(-c6cccc(-c7ncco7)c6)c6oc7c(-c8cccc(-c9ncco9)c8)cc(-n8c9cnccc9c9ccncc98)cc7c6c5)ccc43)c2)n(C(C)C)c1C.c1ccc(-c2cc(COc3ccc4c(c3)c3cnccc3n4-c3cccc(-c4cccc(-n5c6ccncc6c6cc(OCc7cc(-c8ccccc8)nc(-c8ccccc8)c7)ccc65)c4)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccnc(-c3ccc4c(c3)c3cc(-c5nccc(-c6ccccc6)n5)ccc3n4-c3cc(-c4cccnc4)c4oc5c(-c6cccnc6)cc(-c6cccnc6)cc5c4c3)n2)cc1
InChIInChI=1S/C70H48N6O2.C66H46N8O3.C59H36N8O/c1-5-15-49(16-6-1)63-35-47(36-64(73-63)50-17-7-2-8-18-50)45-77-57-27-29-67-59(41-57)61-43-71-33-31-69(61)75(67)55-25-13-23-53(39-55)54-24-14-26-56(40-54)76-68-30-28-58(42-60(68)62-44-72-34-32-70(62)76)78-46-48-37-65(51-19-9-3-10-20-51)74-66(38-48)52-21-11-4-12-22-52;1-38(2)72-40(4)39(3)71-64(72)44-12-9-15-48(30-44)73-58-17-6-5-16-50(58)55-31-41(18-19-59(55)73)47-32-53(42-10-7-13-45(28-42)65-69-24-26-75-65)62-56(33-47)57-35-49(74-60-36-67-22-20-51(60)52-21-23-68-37-61(52)74)34-54(63(57)77-62)43-11-8-14-46(29-43)66-70-25-27-76-66;1-3-10-37(11-4-1)52-21-26-63-58(65-52)39-17-19-54-48(28-39)49-29-40(59-64-27-22-53(66-59)38-12-5-2-6-13-38)18-20-55(49)67(54)45-32-47(43-16-9-25-62-36-43)57-51(33-45)50-31-44(41-14-7-23-60-34-41)30-46(56(50)68-57)42-15-8-24-61-35-42/h1-44H,45-46H2;5-38H,1-4H3;1-36H
InChIKeyBFYKKFHXPWSYBX-UHFFFAOYSA-N
MW2877.33 g/mol
LogP48.01
Rot. Bonds30

About 3,6-bis(4-phenylpyrimidin-2-yl)-9-(4,6,8-tripyridin-3-yldibenzofuran-2-yl)carbazole;2-[3-[2-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1,3-oxazol-2-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole;8-[(2,6-diphenyl-4-pyridinyl)methoxy]-5-[3-[3-[8-[(2,6-diphenyl-4-pyridinyl)methoxy]pyrido[4,3-b]indol-5-yl]phenyl]phenyl]pyrido[4,3-b]indole

3,6-bis(4-phenylpyrimidin-2-yl)-9-(4,6,8-tripyridin-3-yldibenzofuran-2-yl)carbazole;2-[3-[2-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1,3-oxazol-2-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole;8-[(2,6-diphenyl-4-pyridinyl)methoxy]-5-[3-[3-[8-[(2,6-diphenyl-4-pyridinyl)methoxy]pyrido[4,3-b]indol-5-yl]phenyl]phenyl]pyrido[4,3-b]indole (PubChem CID 157337041) has the molecular formula C195H130N22O6 and a molecular weight of 2877.33 g/mol. Its IUPAC name is 3,6-bis(4-phenylpyrimidin-2-yl)-9-(4,6,8-tripyridin-3-yldibenzofuran-2-yl)carbazole;2-[3-[2-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1,3-oxazol-2-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole;8-[(2,6-diphenyl-4-pyridinyl)methoxy]-5-[3-[3-[8-[(2,6-diphenyl-4-pyridinyl)methoxy]pyrido[4,3-b]indol-5-yl]phenyl]phenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name3,6-bis(4-phenylpyrimidin-2-yl)-9-(4,6,8-tripyridin-3-yldibenzofuran-2-yl)carbazole;2-[3-[2-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1,3-oxazol-2-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole;8-[(2,6-diphenyl-4-pyridinyl)methoxy]-5-[3-[3-[8-[(2,6-diphenyl-4-pyridinyl)methoxy]pyrido[4,3-b]indol-5-yl]phenyl]phenyl]pyrido[4,3-b]indole
PubChem CID157337041
Molecular FormulaC195H130N22O6
Molecular Weight2877.33 g/mol
Exact Mass2875.05
IUPAC Name3,6-bis(4-phenylpyrimidin-2-yl)-9-(4,6,8-tripyridin-3-yldibenzofuran-2-yl)carbazole;2-[3-[2-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1,3-oxazol-2-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole;8-[(2,6-diphenyl-4-pyridinyl)methoxy]-5-[3-[3-[8-[(2,6-diphenyl-4-pyridinyl)methoxy]pyrido[4,3-b]indol-5-yl]phenyl]phenyl]pyrido[4,3-b]indole
SMILESCc1nc(-c2cccc(-n3c4ccccc4c4cc(-c5cc(-c6cccc(-c7ncco7)c6)c6oc7c(-c8cccc(-c9ncco9)c8)cc(-n8c9cnccc9c9ccncc98)cc7c6c5)ccc43)c2)n(C(C)C)c1C.c1ccc(-c2cc(COc3ccc4c(c3)c3cnccc3n4-c3cccc(-c4cccc(-n5c6ccncc6c6cc(OCc7cc(-c8ccccc8)nc(-c8ccccc8)c7)ccc65)c4)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccnc(-c3ccc4c(c3)c3cc(-c5nccc(-c6ccccc6)n5)ccc3n4-c3cc(-c4cccnc4)c4oc5c(-c6cccnc6)cc(-c6cccnc6)cc5c4c3)n2)cc1
InChIInChI=1S/C70H48N6O2.C66H46N8O3.C59H36N8O/c1-5-15-49(16-6-1)63-35-47(36-64(73-63)50-17-7-2-8-18-50)45-77-57-27-29-67-59(41-57)61-43-71-33-31-69(61)75(67)55-25-13-23-53(39-55)54-24-14-26-56(40-54)76-68-30-28-58(42-60(68)62-44-72-34-32-70(62)76)78-46-48-37-65(51-19-9-3-10-20-51)74-66(38-48)52-21-11-4-12-22-52;1-38(2)72-40(4)39(3)71-64(72)44-12-9-15-48(30-44)73-58-17-6-5-16-50(58)55-31-41(18-19-59(55)73)47-32-53(42-10-7-13-45(28-42)65-69-24-26-75-65)62-56(33-47)57-35-49(74-60-36-67-22-20-51(60)52-21-23-68-37-61(52)74)34-54(63(57)77-62)43-11-8-14-46(29-43)66-70-25-27-76-66;1-3-10-37(11-4-1)52-21-26-63-58(65-52)39-17-19-54-48(28-39)49-29-40(59-64-27-22-53(66-59)38-12-5-2-6-13-38)18-20-55(49)67(54)45-32-47(43-16-9-25-62-36-43)57-51(33-45)50-31-44(41-14-7-23-60-34-41)30-46(56(50)68-57)42-15-8-24-61-35-42/h1-44H,45-46H2;5-38H,1-4H3;1-36H
InChIKeyBFYKKFHXPWSYBX-UHFFFAOYSA-N
XLogP48.01
TPSA306.84 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds30
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002877.33
LogP ≤ 548.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 3,6-bis(4-phenylpyrimidin-2-yl)-9-(4,6,8-tripyridin-3-yldibenzofuran-2-yl)carbazole;2-[3-[2-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1,3-oxazol-2-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole;8-[(2,6-diphenyl-4-pyridinyl)methoxy]-5-[3-[3-[8-[(2,6-diphenyl-4-pyridinyl)methoxy]pyrido[4,3-b]indol-5-yl]phenyl]phenyl]pyrido[4,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-phenylpyrimidin-2-yl)-9-(4,6,8-tripyridin-3-yldibenzofuran-2-yl)carbazole;2-[3-[2-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1,3-oxazol-2-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole;8-[(2,6-diphenyl-4-pyridinyl)methoxy]-5-[3-[3-[8-[(2,6-diphenyl-4-pyridinyl)methoxy]pyrido[4,3-b]indol-5-yl]phenyl]phenyl]pyrido[4,3-b]indole?
The IUPAC name of 3,6-bis(4-phenylpyrimidin-2-yl)-9-(4,6,8-tripyridin-3-yldibenzofuran-2-yl)carbazole;2-[3-[2-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1,3-oxazol-2-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole;8-[(2,6-diphenyl-4-pyridinyl)methoxy]-5-[3-[3-[8-[(2,6-diphenyl-4-pyridinyl)methoxy]pyrido[4,3-b]indol-5-yl]phenyl]phenyl]pyrido[4,3-b]indole (CID 157337041) is 3,6-bis(4-phenylpyrimidin-2-yl)-9-(4,6,8-tripyridin-3-yldibenzofuran-2-yl)carbazole;2-[3-[2-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1,3-oxazol-2-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole;8-[(2,6-diphenyl-4-pyridinyl)methoxy]-5-[3-[3-[8-[(2,6-diphenyl-4-pyridinyl)methoxy]pyrido[4,3-b]indol-5-yl]phenyl]phenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 3,6-bis(4-phenylpyrimidin-2-yl)-9-(4,6,8-tripyridin-3-yldibenzofuran-2-yl)carbazole;2-[3-[2-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1,3-oxazol-2-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole;8-[(2,6-diphenyl-4-pyridinyl)methoxy]-5-[3-[3-[8-[(2,6-diphenyl-4-pyridinyl)methoxy]pyrido[4,3-b]indol-5-yl]phenyl]phenyl]pyrido[4,3-b]indole?
The canonical SMILES for 3,6-bis(4-phenylpyrimidin-2-yl)-9-(4,6,8-tripyridin-3-yldibenzofuran-2-yl)carbazole;2-[3-[2-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1,3-oxazol-2-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole;8-[(2,6-diphenyl-4-pyridinyl)methoxy]-5-[3-[3-[8-[(2,6-diphenyl-4-pyridinyl)methoxy]pyrido[4,3-b]indol-5-yl]phenyl]phenyl]pyrido[4,3-b]indole is Cc1nc(-c2cccc(-n3c4ccccc4c4cc(-c5cc(-c6cccc(-c7ncco7)c6)c6oc7c(-c8cccc(-c9ncco9)c8)cc(-n8c9cnccc9c9ccncc98)cc7c6c5)ccc43)c2)n(C(C)C)c1C.c1ccc(-c2cc(COc3ccc4c(c3)c3cnccc3n4-c3cccc(-c4cccc(-n5c6ccncc6c6cc(OCc7cc(-c8ccccc8)nc(-c8ccccc8)c7)ccc65)c4)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccnc(-c3ccc4c(c3)c3cc(-c5nccc(-c6ccccc6)n5)ccc3n4-c3cc(-c4cccnc4)c4oc5c(-c6cccnc6)cc(-c6cccnc6)cc5c4c3)n2)cc1.
What is the InChIKey of 3,6-bis(4-phenylpyrimidin-2-yl)-9-(4,6,8-tripyridin-3-yldibenzofuran-2-yl)carbazole;2-[3-[2-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1,3-oxazol-2-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole;8-[(2,6-diphenyl-4-pyridinyl)methoxy]-5-[3-[3-[8-[(2,6-diphenyl-4-pyridinyl)methoxy]pyrido[4,3-b]indol-5-yl]phenyl]phenyl]pyrido[4,3-b]indole?
The InChIKey is BFYKKFHXPWSYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N6O2.C66H46N8O3.C59H36N8O/c1-5-15-49(16-6-1)63-35-47(36-64(73-63)50-17-7-2-8-18-50)45-77-57-27-29-67-59(41-57)61-43-71-33-31-69(61)75(67)55-25-13-23-53(39-55)54-24-14-26-56(40-54)76-68-30-28-58(42-60(68)62-44-72-34-32-70(62)76)78-46-48-37-65(51-19-9-3-10-20-51)74-66(38-48)52-21-11-4-12-22-52;1-38(2)72-40(4)39(3)71-64(72)44-12-9-15-48(30-44)73-58-17-6-5-16-50(58)55-31-41(18-19-59(55)73)47-32-53(42-10-7-13-45(28-42)65-69-24-26-75-65)62-56(33-47)57-35-49(74-60-36-67-22-20-51(60)52-21-23-68-37-61(52)74)34-54(63(57)77-62)43-11-8-14-46(29-43)66-70-25-27-76-66;1-3-10-37(11-4-1)52-21-26-63-58(65-52)39-17-19-54-48(28-39)49-29-40(59-64-27-22-53(66-59)38-12-5-2-6-13-38)18-20-55(49)67(54)45-32-47(43-16-9-25-62-36-43)57-51(33-45)50-31-44(41-14-7-23-60-34-41)30-46(56(50)68-57)42-15-8-24-61-35-42/h1-44H,45-46H2;5-38H,1-4H3;1-36H.
What are the key properties of 3,6-bis(4-phenylpyrimidin-2-yl)-9-(4,6,8-tripyridin-3-yldibenzofuran-2-yl)carbazole;2-[3-[2-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1,3-oxazol-2-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole;8-[(2,6-diphenyl-4-pyridinyl)methoxy]-5-[3-[3-[8-[(2,6-diphenyl-4-pyridinyl)methoxy]pyrido[4,3-b]indol-5-yl]phenyl]phenyl]pyrido[4,3-b]indole?
3,6-bis(4-phenylpyrimidin-2-yl)-9-(4,6,8-tripyridin-3-yldibenzofuran-2-yl)carbazole;2-[3-[2-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1,3-oxazol-2-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole;8-[(2,6-diphenyl-4-pyridinyl)methoxy]-5-[3-[3-[8-[(2,6-diphenyl-4-pyridinyl)methoxy]pyrido[4,3-b]indol-5-yl]phenyl]phenyl]pyrido[4,3-b]indole has a molecular weight of 2877.33 g/mol, XLogP of 48.01, 30 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-phenylpyrimidin-2-yl)-9-(4,6,8-tripyridin-3-yldibenzofuran-2-yl)carbazole;2-[3-[2-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1,3-oxazol-2-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole;8-[(2,6-diphenyl-4-pyridinyl)methoxy]-5-[3-[3-[8-[(2,6-diphenyl-4-pyridinyl)methoxy]pyrido[4,3-b]indol-5-yl]phenyl]phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 157337041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).