2,4-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-6-isocyanobenzonitrile;2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;3,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;3,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-2-isocyanobenzonitrile;2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanobenzonitrile

C294H155N19O10 — CID 160921700

IUPAC2,4-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-6-isocyanobenzonitrile;2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;3,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;3,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-2-isocyanobenzonitrile;2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanobenzonitrile
SMILES[C-]#[N+]c1c(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)cc(C#N)cc1-n1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2c2c3ccccc3ccc21.[C-]#[N+]c1c(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)ccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)c1C#N.[C-]#[N+]c1cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)c1C#N.[C-]#[N+]c1ccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)c(C#N)c1-n1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2c2c3ccccc3ccc21.[C-]#[N+]c1cccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4oc5ccccc5c4ccc32)c1C#N
InChIInChI=1S/4C64H34N4O2.C38H19N3O2/c1-66-52-24-29-55(67-53-25-20-39(34-49(53)62-43-12-4-2-10-37(43)18-27-56(62)67)41-22-30-60-47(32-41)45-14-6-8-16-58(45)69-60)51(36-65)64(52)68-54-26-21-40(35-50(54)63-44-13-5-3-11-38(44)19-28-57(63)68)42-23-31-61-48(33-42)46-15-7-9-17-59(46)70-61;1-66-64-51(36-65)54(67-52-24-20-39(34-49(52)62-43-12-4-2-10-37(43)18-26-55(62)67)41-22-30-60-47(32-41)45-14-6-8-16-58(45)69-60)28-29-57(64)68-53-25-21-40(35-50(53)63-44-13-5-3-11-38(44)19-27-56(63)68)42-23-31-61-48(33-42)46-15-7-9-17-59(46)70-61;1-66-64-56(67-52-24-20-40(34-50(52)62-44-12-4-2-10-38(44)18-26-54(62)67)42-22-28-60-48(32-42)46-14-6-8-16-58(46)69-60)30-37(36-65)31-57(64)68-53-25-21-41(35-51(53)63-45-13-5-3-11-39(45)19-27-55(63)68)43-23-29-61-49(33-43)47-15-7-9-17-59(47)70-61;1-66-53-34-43(67-54-24-20-39(32-50(54)63-44-12-4-2-10-37(44)18-26-56(63)67)41-22-28-61-48(30-41)46-14-6-8-16-59(46)69-61)35-58(52(53)36-65)68-55-25-21-40(33-51(55)64-45-13-5-3-11-38(45)19-27-57(64)68)42-23-29-62-49(31-42)47-15-7-9-17-60(47)70-62;1-40-30-9-6-10-31(29(30)21-39)41-32-16-13-22(23-14-18-36-27(19-23)25-8-3-4-11-34(25)42-36)20-28(32)37-33(41)17-15-26-24-7-2-5-12-35(24)43-38(26)37/h4*2-35H;2-20H
InChIKeySSCRWGHERAFMDS-UHFFFAOYSA-N
MW4113.60 g/mol
LogP81.64
Rot. Bonds18

About 2,4-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-6-isocyanobenzonitrile;2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;3,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;3,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-2-isocyanobenzonitrile;2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanobenzonitrile

2,4-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-6-isocyanobenzonitrile;2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;3,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;3,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-2-isocyanobenzonitrile;2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanobenzonitrile (PubChem CID 160921700) has the molecular formula C294H155N19O10 and a molecular weight of 4113.60 g/mol. Its IUPAC name is 2,4-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-6-isocyanobenzonitrile;2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;3,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;3,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-2-isocyanobenzonitrile;2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanobenzonitrile.

Molecular Properties

Compound Name2,4-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-6-isocyanobenzonitrile;2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;3,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;3,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-2-isocyanobenzonitrile;2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanobenzonitrile
PubChem CID160921700
Molecular FormulaC294H155N19O10
Molecular Weight4113.60 g/mol
Exact Mass4110.22
IUPAC Name2,4-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-6-isocyanobenzonitrile;2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;3,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;3,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-2-isocyanobenzonitrile;2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanobenzonitrile
SMILES[C-]#[N+]c1c(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)cc(C#N)cc1-n1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2c2c3ccccc3ccc21.[C-]#[N+]c1c(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)ccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)c1C#N.[C-]#[N+]c1cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)c1C#N.[C-]#[N+]c1ccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)c(C#N)c1-n1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2c2c3ccccc3ccc21.[C-]#[N+]c1cccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4oc5ccccc5c4ccc32)c1C#N
InChIInChI=1S/4C64H34N4O2.C38H19N3O2/c1-66-52-24-29-55(67-53-25-20-39(34-49(53)62-43-12-4-2-10-37(43)18-27-56(62)67)41-22-30-60-47(32-41)45-14-6-8-16-58(45)69-60)51(36-65)64(52)68-54-26-21-40(35-50(54)63-44-13-5-3-11-38(44)19-28-57(63)68)42-23-31-61-48(33-42)46-15-7-9-17-59(46)70-61;1-66-64-51(36-65)54(67-52-24-20-39(34-49(52)62-43-12-4-2-10-37(43)18-26-55(62)67)41-22-30-60-47(32-41)45-14-6-8-16-58(45)69-60)28-29-57(64)68-53-25-21-40(35-50(53)63-44-13-5-3-11-38(44)19-27-56(63)68)42-23-31-61-48(33-42)46-15-7-9-17-59(46)70-61;1-66-64-56(67-52-24-20-40(34-50(52)62-44-12-4-2-10-38(44)18-26-54(62)67)42-22-28-60-48(32-42)46-14-6-8-16-58(46)69-60)30-37(36-65)31-57(64)68-53-25-21-41(35-51(53)63-45-13-5-3-11-39(45)19-27-55(63)68)43-23-29-61-49(33-43)47-15-7-9-17-59(47)70-61;1-66-53-34-43(67-54-24-20-39(32-50(54)63-44-12-4-2-10-37(44)18-26-56(63)67)41-22-28-61-48(30-41)46-14-6-8-16-59(46)69-61)35-58(52(53)36-65)68-55-25-21-40(33-51(55)64-45-13-5-3-11-38(45)19-27-57(64)68)42-23-29-62-49(31-42)47-15-7-9-17-60(47)70-62;1-40-30-9-6-10-31(29(30)21-39)41-32-16-13-22(23-14-18-36-27(19-23)25-8-3-4-11-34(25)42-36)20-28(32)37-33(41)17-15-26-24-7-2-5-12-35(24)43-38(26)37/h4*2-35H;2-20H
InChIKeySSCRWGHERAFMDS-UHFFFAOYSA-N
XLogP81.64
TPSA316.52 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms323
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004113.60
LogP ≤ 581.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2,4-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-6-isocyanobenzonitrile;2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;3,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;3,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-2-isocyanobenzonitrile;2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanobenzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-6-isocyanobenzonitrile;2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;3,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;3,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-2-isocyanobenzonitrile;2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanobenzonitrile?
The IUPAC name of 2,4-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-6-isocyanobenzonitrile;2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;3,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;3,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-2-isocyanobenzonitrile;2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanobenzonitrile (CID 160921700) is 2,4-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-6-isocyanobenzonitrile;2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;3,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;3,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-2-isocyanobenzonitrile;2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanobenzonitrile.
What is the SMILES notation for 2,4-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-6-isocyanobenzonitrile;2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;3,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;3,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-2-isocyanobenzonitrile;2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanobenzonitrile?
The canonical SMILES for 2,4-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-6-isocyanobenzonitrile;2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;3,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;3,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-2-isocyanobenzonitrile;2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanobenzonitrile is [C-]#[N+]c1c(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)cc(C#N)cc1-n1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2c2c3ccccc3ccc21.[C-]#[N+]c1c(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)ccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)c1C#N.[C-]#[N+]c1cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)c1C#N.[C-]#[N+]c1ccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)c(C#N)c1-n1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2c2c3ccccc3ccc21.[C-]#[N+]c1cccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4oc5ccccc5c4ccc32)c1C#N.
What is the InChIKey of 2,4-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-6-isocyanobenzonitrile;2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;3,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;3,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-2-isocyanobenzonitrile;2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanobenzonitrile?
The InChIKey is SSCRWGHERAFMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C64H34N4O2.C38H19N3O2/c1-66-52-24-29-55(67-53-25-20-39(34-49(53)62-43-12-4-2-10-37(43)18-27-56(62)67)41-22-30-60-47(32-41)45-14-6-8-16-58(45)69-60)51(36-65)64(52)68-54-26-21-40(35-50(54)63-44-13-5-3-11-38(44)19-28-57(63)68)42-23-31-61-48(33-42)46-15-7-9-17-59(46)70-61;1-66-64-51(36-65)54(67-52-24-20-39(34-49(52)62-43-12-4-2-10-37(43)18-26-55(62)67)41-22-30-60-47(32-41)45-14-6-8-16-58(45)69-60)28-29-57(64)68-53-25-21-40(35-50(53)63-44-13-5-3-11-38(44)19-27-56(63)68)42-23-31-61-48(33-42)46-15-7-9-17-59(46)70-61;1-66-64-56(67-52-24-20-40(34-50(52)62-44-12-4-2-10-38(44)18-26-54(62)67)42-22-28-60-48(32-42)46-14-6-8-16-58(46)69-60)30-37(36-65)31-57(64)68-53-25-21-41(35-51(53)63-45-13-5-3-11-39(45)19-27-55(63)68)43-23-29-61-49(33-43)47-15-7-9-17-59(47)70-61;1-66-53-34-43(67-54-24-20-39(32-50(54)63-44-12-4-2-10-37(44)18-26-56(63)67)41-22-28-61-48(30-41)46-14-6-8-16-59(46)69-61)35-58(52(53)36-65)68-55-25-21-40(33-51(55)64-45-13-5-3-11-38(45)19-27-57(64)68)42-23-29-62-49(31-42)47-15-7-9-17-60(47)70-62;1-40-30-9-6-10-31(29(30)21-39)41-32-16-13-22(23-14-18-36-27(19-23)25-8-3-4-11-34(25)42-36)20-28(32)37-33(41)17-15-26-24-7-2-5-12-35(24)43-38(26)37/h4*2-35H;2-20H.
What are the key properties of 2,4-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-6-isocyanobenzonitrile;2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;3,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;3,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-2-isocyanobenzonitrile;2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanobenzonitrile?
2,4-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-6-isocyanobenzonitrile;2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;3,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;3,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-2-isocyanobenzonitrile;2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanobenzonitrile has a molecular weight of 4113.60 g/mol, XLogP of 81.64, 18 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-6-isocyanobenzonitrile;2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-3-isocyanobenzonitrile;3,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;3,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-2-isocyanobenzonitrile;2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanobenzonitrile is sourced from PubChem (CID 160921700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).