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

C200H102N12O10 — CID 162254371

IUPAC2,4-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
SMILESN#Cc1cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4oc5ccccc5c4ccc32)cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4oc5ccccc5c4ccc32)c1C#N.[C-]#[N+]c1cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4oc5ccccc5c4ccc32)cc(C#N)c1-n1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1cc(C#N)c(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)cc1-n1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2c2c3ccccc3ccc21
InChIInChI=1S/2C68H34N4O4.C64H34N4O2/c1-70-53-35-42(71-54-24-18-37(39-20-28-62-49(31-39)45-12-4-6-14-58(45)73-62)33-51(54)64-56(71)26-22-47-43-10-2-8-16-60(43)75-67(47)64)30-41(36-69)66(53)72-55-25-19-38(40-21-29-63-50(32-40)46-13-5-7-15-59(46)74-63)34-52(55)65-57(72)27-23-48-44-11-3-9-17-61(44)76-68(48)65;69-35-41-29-42(71-54-23-17-37(39-19-27-63-49(30-39)45-11-3-5-13-59(45)73-63)32-51(54)65-56(71)25-21-47-43-9-1-7-15-61(43)75-67(47)65)34-58(53(41)36-70)72-55-24-18-38(40-20-28-64-50(31-40)46-12-4-6-14-60(46)74-64)33-52(55)66-57(72)26-22-48-44-10-2-8-16-62(44)76-68(48)66;1-66-52-34-43(36-65)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)35-58(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/h2-35H;1-34H;2-35H
InChIKeyZYKBKLCPZAQBFY-UHFFFAOYSA-N
MW2833.09 g/mol
LogP55.53
Rot. Bonds12

About 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

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 (PubChem CID 162254371) has the molecular formula C200H102N12O10 and a molecular weight of 2833.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,4-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
PubChem CID162254371
Molecular FormulaC200H102N12O10
Molecular Weight2833.09 g/mol
Exact Mass2830.78
IUPAC Name2,4-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
SMILESN#Cc1cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4oc5ccccc5c4ccc32)cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4oc5ccccc5c4ccc32)c1C#N.[C-]#[N+]c1cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4oc5ccccc5c4ccc32)cc(C#N)c1-n1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1cc(C#N)c(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)cc1-n1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2c2c3ccccc3ccc21
InChIInChI=1S/2C68H34N4O4.C64H34N4O2/c1-70-53-35-42(71-54-24-18-37(39-20-28-62-49(31-39)45-12-4-6-14-58(45)73-62)33-51(54)64-56(71)26-22-47-43-10-2-8-16-60(43)75-67(47)64)30-41(36-69)66(53)72-55-25-19-38(40-21-29-63-50(32-40)46-13-5-7-15-59(46)74-63)34-52(55)65-57(72)27-23-48-44-11-3-9-17-61(44)76-68(48)65;69-35-41-29-42(71-54-23-17-37(39-19-27-63-49(30-39)45-11-3-5-13-59(45)73-63)32-51(54)65-56(71)25-21-47-43-9-1-7-15-61(43)75-67(47)65)34-58(53(41)36-70)72-55-24-18-38(40-20-28-64-50(31-40)46-12-4-6-14-60(46)74-64)33-52(55)66-57(72)26-22-48-44-10-2-8-16-62(44)76-68(48)66;1-66-52-34-43(36-65)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)35-58(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/h2-35H;1-34H;2-35H
InChIKeyZYKBKLCPZAQBFY-UHFFFAOYSA-N
XLogP55.53
TPSA264.86 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002833.09
LogP ≤ 555.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2,4-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile
CID 153462015
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
2,6-bis(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile
CID 153462388
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
3,5-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3,5-bis(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2,4-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;3,5-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3,6-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 161007750
4-isocyano-2,5-bis[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile
CID 153461832
2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile
CID 153461878
2,5-bis(2-dibenzothiophen-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile
CID 153462188
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-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3-carbazol-9-ylcarbazol-9-yl)-3-isocyanobenzonitrile
CID 153462582
2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 155450671

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4oc5ccccc5c4ccc32)cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4oc5ccccc5c4ccc32)c1C#N.[C-]#[N+]c1cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4oc5ccccc5c4ccc32)cc(C#N)c1-n1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1cc(C#N)c(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3c4ccccc4ccc32)cc1-n1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2c2c3ccccc3ccc21.
What is the InChIKey of 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?
The InChIKey is ZYKBKLCPZAQBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C68H34N4O4.C64H34N4O2/c1-70-53-35-42(71-54-24-18-37(39-20-28-62-49(31-39)45-12-4-6-14-58(45)73-62)33-51(54)64-56(71)26-22-47-43-10-2-8-16-60(43)75-67(47)64)30-41(36-69)66(53)72-55-25-19-38(40-21-29-63-50(32-40)46-13-5-7-15-59(46)74-63)34-52(55)65-57(72)27-23-48-44-11-3-9-17-61(44)76-68(48)65;69-35-41-29-42(71-54-23-17-37(39-19-27-63-49(30-39)45-11-3-5-13-59(45)73-63)32-51(54)65-56(71)25-21-47-43-9-1-7-15-61(43)75-67(47)65)34-58(53(41)36-70)72-55-24-18-38(40-20-28-64-50(31-40)46-12-4-6-14-60(46)74-64)33-52(55)66-57(72)26-22-48-44-10-2-8-16-62(44)76-68(48)66;1-66-52-34-43(36-65)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)35-58(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/h2-35H;1-34H;2-35H.
What are the key properties of 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?
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 has a molecular weight of 2833.09 g/mol, XLogP of 55.53, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162254371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).