3-carbazol-9-yl-9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)carbazole;9-(6-dibenzofuran-4-yldibenzofuran-2-yl)pyrido[2,3-b]indole;3,6-di(carbazol-9-yl)-9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazole

C143H83N7O5S — CID 162014946

IUPAC3-carbazol-9-yl-9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)carbazole;9-(6-dibenzofuran-4-yldibenzofuran-2-yl)pyrido[2,3-b]indole;3,6-di(carbazol-9-yl)-9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazole
SMILESc1ccc2c(c1)oc1c(-c3cccc4c3oc3ccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc34)cccc12.c1ccc2c(c1)oc1c(-c3cccc4c3oc3ccc(-n5c6ccccc6c6cccnc65)cc34)cccc12.c1ccc2c(c1)sc1c(-c3cccc4c3oc3ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc34)cccc12
InChIInChI=1S/C60H35N3O2.C48H28N2OS.C35H20N2O2/c1-6-22-51-39(13-1)40-14-2-7-23-52(40)61(51)36-27-30-55-48(33-36)49-34-37(62-53-24-8-3-15-41(53)42-16-4-9-25-54(42)62)28-31-56(49)63(55)38-29-32-58-50(35-38)47-21-12-20-46(60(47)65-58)45-19-11-18-44-43-17-5-10-26-57(43)64-59(44)45;1-5-19-41-31(11-1)32-12-2-6-20-42(32)49(41)29-23-25-44-39(27-29)33-13-3-7-21-43(33)50(44)30-24-26-45-40(28-30)36-16-9-15-35(47(36)51-45)38-18-10-17-37-34-14-4-8-22-46(34)52-48(37)38;1-3-15-30-22(8-1)28-14-7-19-36-35(28)37(30)21-17-18-32-29(20-21)27-13-6-12-26(34(27)39-32)25-11-5-10-24-23-9-2-4-16-31(23)38-33(24)25/h1-35H;1-28H;1-20H
InChIKeyYTZCQHCNPUDHSD-UHFFFAOYSA-N
MW2011.35 g/mol
LogP39.90
Rot. Bonds9

About 3-carbazol-9-yl-9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)carbazole;9-(6-dibenzofuran-4-yldibenzofuran-2-yl)pyrido[2,3-b]indole;3,6-di(carbazol-9-yl)-9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazole

3-carbazol-9-yl-9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)carbazole;9-(6-dibenzofuran-4-yldibenzofuran-2-yl)pyrido[2,3-b]indole;3,6-di(carbazol-9-yl)-9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazole (PubChem CID 162014946) has the molecular formula C143H83N7O5S and a molecular weight of 2011.35 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)carbazole;9-(6-dibenzofuran-4-yldibenzofuran-2-yl)pyrido[2,3-b]indole;3,6-di(carbazol-9-yl)-9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)carbazole;9-(6-dibenzofuran-4-yldibenzofuran-2-yl)pyrido[2,3-b]indole;3,6-di(carbazol-9-yl)-9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazole
PubChem CID162014946
Molecular FormulaC143H83N7O5S
Molecular Weight2011.35 g/mol
Exact Mass2009.62
IUPAC Name3-carbazol-9-yl-9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)carbazole;9-(6-dibenzofuran-4-yldibenzofuran-2-yl)pyrido[2,3-b]indole;3,6-di(carbazol-9-yl)-9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazole
SMILESc1ccc2c(c1)oc1c(-c3cccc4c3oc3ccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc34)cccc12.c1ccc2c(c1)oc1c(-c3cccc4c3oc3ccc(-n5c6ccccc6c6cccnc65)cc34)cccc12.c1ccc2c(c1)sc1c(-c3cccc4c3oc3ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc34)cccc12
InChIInChI=1S/C60H35N3O2.C48H28N2OS.C35H20N2O2/c1-6-22-51-39(13-1)40-14-2-7-23-52(40)61(51)36-27-30-55-48(33-36)49-34-37(62-53-24-8-3-15-41(53)42-16-4-9-25-54(42)62)28-31-56(49)63(55)38-29-32-58-50(35-38)47-21-12-20-46(60(47)65-58)45-19-11-18-44-43-17-5-10-26-57(43)64-59(44)45;1-5-19-41-31(11-1)32-12-2-6-20-42(32)49(41)29-23-25-44-39(27-29)33-13-3-7-21-43(33)50(44)30-24-26-45-40(28-30)36-16-9-15-35(47(36)51-45)38-18-10-17-37-34-14-4-8-22-46(34)52-48(37)38;1-3-15-30-22(8-1)28-14-7-19-36-35(28)37(30)21-17-18-32-29(20-21)27-13-6-12-26(34(27)39-32)25-11-5-10-24-23-9-2-4-16-31(23)38-33(24)25/h1-35H;1-28H;1-20H
InChIKeyYTZCQHCNPUDHSD-UHFFFAOYSA-N
XLogP39.90
TPSA108.17 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms156
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002011.35
LogP ≤ 539.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-carbazol-9-yl-9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)carbazole;9-(6-dibenzofuran-4-yldibenzofuran-2-yl)pyrido[2,3-b]indole;3,6-di(carbazol-9-yl)-9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)carbazole;9-(6-dibenzofuran-4-yldibenzofuran-2-yl)pyrido[2,3-b]indole;3,6-di(carbazol-9-yl)-9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)carbazole;9-(6-dibenzofuran-4-yldibenzofuran-2-yl)pyrido[2,3-b]indole;3,6-di(carbazol-9-yl)-9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazole (CID 162014946) is 3-carbazol-9-yl-9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)carbazole;9-(6-dibenzofuran-4-yldibenzofuran-2-yl)pyrido[2,3-b]indole;3,6-di(carbazol-9-yl)-9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)carbazole;9-(6-dibenzofuran-4-yldibenzofuran-2-yl)pyrido[2,3-b]indole;3,6-di(carbazol-9-yl)-9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)carbazole;9-(6-dibenzofuran-4-yldibenzofuran-2-yl)pyrido[2,3-b]indole;3,6-di(carbazol-9-yl)-9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazole is c1ccc2c(c1)oc1c(-c3cccc4c3oc3ccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc34)cccc12.c1ccc2c(c1)oc1c(-c3cccc4c3oc3ccc(-n5c6ccccc6c6cccnc65)cc34)cccc12.c1ccc2c(c1)sc1c(-c3cccc4c3oc3ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc34)cccc12.
What is the InChIKey of 3-carbazol-9-yl-9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)carbazole;9-(6-dibenzofuran-4-yldibenzofuran-2-yl)pyrido[2,3-b]indole;3,6-di(carbazol-9-yl)-9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazole?
The InChIKey is YTZCQHCNPUDHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35N3O2.C48H28N2OS.C35H20N2O2/c1-6-22-51-39(13-1)40-14-2-7-23-52(40)61(51)36-27-30-55-48(33-36)49-34-37(62-53-24-8-3-15-41(53)42-16-4-9-25-54(42)62)28-31-56(49)63(55)38-29-32-58-50(35-38)47-21-12-20-46(60(47)65-58)45-19-11-18-44-43-17-5-10-26-57(43)64-59(44)45;1-5-19-41-31(11-1)32-12-2-6-20-42(32)49(41)29-23-25-44-39(27-29)33-13-3-7-21-43(33)50(44)30-24-26-45-40(28-30)36-16-9-15-35(47(36)51-45)38-18-10-17-37-34-14-4-8-22-46(34)52-48(37)38;1-3-15-30-22(8-1)28-14-7-19-36-35(28)37(30)21-17-18-32-29(20-21)27-13-6-12-26(34(27)39-32)25-11-5-10-24-23-9-2-4-16-31(23)38-33(24)25/h1-35H;1-28H;1-20H.
What are the key properties of 3-carbazol-9-yl-9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)carbazole;9-(6-dibenzofuran-4-yldibenzofuran-2-yl)pyrido[2,3-b]indole;3,6-di(carbazol-9-yl)-9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazole?
3-carbazol-9-yl-9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)carbazole;9-(6-dibenzofuran-4-yldibenzofuran-2-yl)pyrido[2,3-b]indole;3,6-di(carbazol-9-yl)-9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazole has a molecular weight of 2011.35 g/mol, XLogP of 39.90, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)carbazole;9-(6-dibenzofuran-4-yldibenzofuran-2-yl)pyrido[2,3-b]indole;3,6-di(carbazol-9-yl)-9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazole is sourced from PubChem (CID 162014946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).