2,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-methylbenzo[c]carbazol-7-yl)benzonitrile;4-isocyano-2,5-bis(10-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzonitrile

C230H128N16O4 — CID 158388291

IUPAC2,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-methylbenzo[c]carbazol-7-yl)benzonitrile;4-isocyano-2,5-bis(10-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzonitrile
SMILES[C-]#[N+]c1cc(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(-c4cccc5ccccc45)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccc(-c3cccc4ccccc34)cc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(C)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccc(C)cc2c2c3ccccc3ccc21
InChIInChI=1S/2C64H34N4O2.C60H34N4.C42H26N4/c1-66-52-35-57(67-53-24-20-39(32-50(53)63-44-12-4-2-10-37(44)18-26-55(63)67)41-22-28-61-48(30-41)46-14-6-8-16-59(46)69-61)43(36-65)34-58(52)68-54-25-21-40(33-51(54)64-45-13-5-3-11-38(45)19-27-56(64)68)42-23-29-62-49(31-42)47-15-7-9-17-60(47)70-62;1-66-52-35-57(67-53-26-22-39(30-50(53)63-44-12-4-2-10-37(44)20-28-55(63)67)41-18-24-48-46-14-6-8-16-59(46)69-61(48)33-41)43(36-65)32-58(52)68-54-27-23-40(31-51(54)64-45-13-5-3-11-38(45)21-29-56(64)68)42-19-25-49-47-15-7-9-17-60(47)70-62(49)34-42;1-62-52-35-57(63-53-28-26-41(46-22-10-16-37-12-2-6-18-44(37)46)32-50(53)59-48-20-8-4-14-39(48)24-30-55(59)63)43(36-61)34-58(52)64-54-29-27-42(47-23-11-17-38-13-3-7-19-45(38)47)33-51(54)60-49-21-9-5-15-40(49)25-31-56(60)64;1-25-12-16-35-32(20-25)41-30-10-6-4-8-27(30)14-18-37(41)45(35)39-23-34(44-3)40(22-29(39)24-43)46-36-17-13-26(2)21-33(36)42-31-11-7-5-9-28(31)15-19-38(42)46/h2*2-35H;2-35H;4-23H,1-2H3
InChIKeyGWPZFCSFIZMIRK-UHFFFAOYSA-N
MW3179.66 g/mol
LogP62.96
Rot. Bonds14

About 2,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-methylbenzo[c]carbazol-7-yl)benzonitrile;4-isocyano-2,5-bis(10-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzonitrile

2,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-methylbenzo[c]carbazol-7-yl)benzonitrile;4-isocyano-2,5-bis(10-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzonitrile (PubChem CID 158388291) has the molecular formula C230H128N16O4 and a molecular weight of 3179.66 g/mol. Its IUPAC name is 2,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-methylbenzo[c]carbazol-7-yl)benzonitrile;4-isocyano-2,5-bis(10-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzonitrile.

Molecular Properties

Compound Name2,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-methylbenzo[c]carbazol-7-yl)benzonitrile;4-isocyano-2,5-bis(10-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzonitrile
PubChem CID158388291
Molecular FormulaC230H128N16O4
Molecular Weight3179.66 g/mol
Exact Mass3177.03
IUPAC Name2,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-methylbenzo[c]carbazol-7-yl)benzonitrile;4-isocyano-2,5-bis(10-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzonitrile
SMILES[C-]#[N+]c1cc(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(-c4cccc5ccccc45)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccc(-c3cccc4ccccc34)cc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(C)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccc(C)cc2c2c3ccccc3ccc21
InChIInChI=1S/2C64H34N4O2.C60H34N4.C42H26N4/c1-66-52-35-57(67-53-24-20-39(32-50(53)63-44-12-4-2-10-37(44)18-26-55(63)67)41-22-28-61-48(30-41)46-14-6-8-16-59(46)69-61)43(36-65)34-58(52)68-54-25-21-40(33-51(54)64-45-13-5-3-11-38(45)19-27-56(64)68)42-23-29-62-49(31-42)47-15-7-9-17-60(47)70-62;1-66-52-35-57(67-53-26-22-39(30-50(53)63-44-12-4-2-10-37(44)20-28-55(63)67)41-18-24-48-46-14-6-8-16-59(46)69-61(48)33-41)43(36-65)32-58(52)68-54-27-23-40(31-51(54)64-45-13-5-3-11-38(45)21-29-56(64)68)42-19-25-49-47-15-7-9-17-60(47)70-62(49)34-42;1-62-52-35-57(63-53-28-26-41(46-22-10-16-37-12-2-6-18-44(37)46)32-50(53)59-48-20-8-4-14-39(48)24-30-55(59)63)43(36-61)34-58(52)64-54-29-27-42(47-23-11-17-38-13-3-7-19-45(38)47)33-51(54)60-49-21-9-5-15-40(49)25-31-56(60)64;1-25-12-16-35-32(20-25)41-30-10-6-4-8-27(30)14-18-37(41)45(35)39-23-34(44-3)40(22-29(39)24-43)46-36-17-13-26(2)21-33(36)42-31-11-7-5-9-28(31)15-19-38(42)46/h2*2-35H;2-35H;4-23H,1-2H3
InChIKeyGWPZFCSFIZMIRK-UHFFFAOYSA-N
XLogP62.96
TPSA204.60 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003179.66
LogP ≤ 562.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-benzo[c]carbazol-7-yl-2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-isocyanobenzonitrile
CID 153461922
2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile
CID 153462513
2,4-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile
CID 153462015
5-([1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyano-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile;5-([1]benzofuro[3,2-a]carbazol-12-yl)-4-isocyano-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile;5-([1]benzofuro[2,3-b]carbazol-7-yl)-4-isocyano-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile;5-([1]benzofuro[3,2-b]carbazol-11-yl)-4-isocyano-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile;5-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyano-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile;4-isocyano-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
CID 160860966
5-isocyano-2,4-bis(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
CID 153462263
5-benzo[c]carbazol-7-yl-4-isocyano-2-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]benzonitrile
CID 153462349
2,4-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-isocyanobenzonitrile;3,5-bis(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2,5-bis(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile
CID 162254371
5-benzo[c]carbazol-7-yl-2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]-4-isocyanobenzonitrile
CID 153462509
4-isocyano-2,5-bis[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile
CID 153461832
5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile
CID 153462118
2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile
CID 153462269
2-benzo[c]carbazol-7-yl-5-([1]benzofuro[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328536

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-methylbenzo[c]carbazol-7-yl)benzonitrile;4-isocyano-2,5-bis(10-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzonitrile?
The IUPAC name of 2,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-methylbenzo[c]carbazol-7-yl)benzonitrile;4-isocyano-2,5-bis(10-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzonitrile (CID 158388291) is 2,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-methylbenzo[c]carbazol-7-yl)benzonitrile;4-isocyano-2,5-bis(10-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzonitrile.
What is the SMILES notation for 2,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-methylbenzo[c]carbazol-7-yl)benzonitrile;4-isocyano-2,5-bis(10-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzonitrile?
The canonical SMILES for 2,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-methylbenzo[c]carbazol-7-yl)benzonitrile;4-isocyano-2,5-bis(10-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzonitrile is [C-]#[N+]c1cc(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(-c4cccc5ccccc45)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccc(-c3cccc4ccccc34)cc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(C)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccc(C)cc2c2c3ccccc3ccc21.
What is the InChIKey of 2,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-methylbenzo[c]carbazol-7-yl)benzonitrile;4-isocyano-2,5-bis(10-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzonitrile?
The InChIKey is GWPZFCSFIZMIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C64H34N4O2.C60H34N4.C42H26N4/c1-66-52-35-57(67-53-24-20-39(32-50(53)63-44-12-4-2-10-37(44)18-26-55(63)67)41-22-28-61-48(30-41)46-14-6-8-16-59(46)69-61)43(36-65)34-58(52)68-54-25-21-40(33-51(54)64-45-13-5-3-11-38(45)19-27-56(64)68)42-23-29-62-49(31-42)47-15-7-9-17-60(47)70-62;1-66-52-35-57(67-53-26-22-39(30-50(53)63-44-12-4-2-10-37(44)20-28-55(63)67)41-18-24-48-46-14-6-8-16-59(46)69-61(48)33-41)43(36-65)32-58(52)68-54-27-23-40(31-51(54)64-45-13-5-3-11-38(45)21-29-56(64)68)42-19-25-49-47-15-7-9-17-60(47)70-62(49)34-42;1-62-52-35-57(63-53-28-26-41(46-22-10-16-37-12-2-6-18-44(37)46)32-50(53)59-48-20-8-4-14-39(48)24-30-55(59)63)43(36-61)34-58(52)64-54-29-27-42(47-23-11-17-38-13-3-7-19-45(38)47)33-51(54)60-49-21-9-5-15-40(49)25-31-56(60)64;1-25-12-16-35-32(20-25)41-30-10-6-4-8-27(30)14-18-37(41)45(35)39-23-34(44-3)40(22-29(39)24-43)46-36-17-13-26(2)21-33(36)42-31-11-7-5-9-28(31)15-19-38(42)46/h2*2-35H;2-35H;4-23H,1-2H3.
What are the key properties of 2,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-methylbenzo[c]carbazol-7-yl)benzonitrile;4-isocyano-2,5-bis(10-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzonitrile?
2,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-methylbenzo[c]carbazol-7-yl)benzonitrile;4-isocyano-2,5-bis(10-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzonitrile has a molecular weight of 3179.66 g/mol, XLogP of 62.96, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-methylbenzo[c]carbazol-7-yl)benzonitrile;4-isocyano-2,5-bis(10-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzonitrile is sourced from PubChem (CID 158388291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).