5-benzo[c]carbazol-7-yl-2-(3-carbazol-9-yl-[1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(9-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzonitrile

C162H89N15O3 — CID 157054953

IUPAC5-benzo[c]carbazol-7-yl-2-(3-carbazol-9-yl-[1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(9-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzonitrile
SMILES[C-]#[N+]c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3ccc4c5ccccc5oc4c32)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3ccc4oc5ccccc5c4c32)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3ccc4oc5ccccc5c4c32)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21
InChIInChI=1S/2C54H29N5O.C54H31N5O/c1-56-43-30-49(33(31-55)28-50(43)58-46-20-10-6-17-41(46)52-35-13-3-2-12-32(35)22-26-48(52)58)59-47-27-23-34(57-44-18-8-4-14-36(44)37-15-5-9-19-45(37)57)29-42(47)39-24-25-40-38-16-7-11-21-51(38)60-54(40)53(39)59;1-56-42-30-48(33(31-55)28-49(42)58-45-20-10-6-16-39(45)52-35-13-3-2-12-32(35)22-25-47(52)58)59-46-26-23-34(57-43-18-8-4-14-36(43)37-15-5-9-19-44(37)57)29-41(46)38-24-27-51-53(54(38)59)40-17-7-11-21-50(40)60-51;1-56-44-32-48(35(33-55)30-49(44)58-45-22-12-10-20-41(45)52-39-19-9-8-14-34(39)24-27-47(52)58)59-46-28-25-38(57(36-15-4-2-5-16-36)37-17-6-3-7-18-37)31-43(46)40-26-29-51-53(54(40)59)42-21-11-13-23-50(42)60-51/h2*2-30H;2-32H
InChIKeyAAQIVMIGTOTUBN-UHFFFAOYSA-N
MW2293.60 g/mol
LogP43.73
Rot. Bonds11

About 5-benzo[c]carbazol-7-yl-2-(3-carbazol-9-yl-[1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(9-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzonitrile

5-benzo[c]carbazol-7-yl-2-(3-carbazol-9-yl-[1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(9-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzonitrile (PubChem CID 157054953) has the molecular formula C162H89N15O3 and a molecular weight of 2293.60 g/mol. Its IUPAC name is 5-benzo[c]carbazol-7-yl-2-(3-carbazol-9-yl-[1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(9-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzonitrile.

Molecular Properties

Compound Name5-benzo[c]carbazol-7-yl-2-(3-carbazol-9-yl-[1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(9-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzonitrile
PubChem CID157054953
Molecular FormulaC162H89N15O3
Molecular Weight2293.60 g/mol
Exact Mass2291.73
IUPAC Name5-benzo[c]carbazol-7-yl-2-(3-carbazol-9-yl-[1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(9-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzonitrile
SMILES[C-]#[N+]c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3ccc4c5ccccc5oc4c32)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3ccc4oc5ccccc5c4c32)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3ccc4oc5ccccc5c4c32)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21
InChIInChI=1S/2C54H29N5O.C54H31N5O/c1-56-43-30-49(33(31-55)28-50(43)58-46-20-10-6-17-41(46)52-35-13-3-2-12-32(35)22-26-48(52)58)59-47-27-23-34(57-44-18-8-4-14-36(44)37-15-5-9-19-45(37)57)29-42(47)39-24-25-40-38-16-7-11-21-51(38)60-54(40)53(39)59;1-56-42-30-48(33(31-55)28-49(42)58-45-20-10-6-16-39(45)52-35-13-3-2-12-32(35)22-25-47(52)58)59-46-26-23-34(57-43-18-8-4-14-36(43)37-15-5-9-19-44(37)57)29-41(46)38-24-27-51-53(54(38)59)40-17-7-11-21-50(40)60-51;1-56-44-32-48(35(33-55)30-49(44)58-45-22-12-10-20-41(45)52-39-19-9-8-14-34(39)24-27-47(52)58)59-46-28-25-38(57(36-15-4-2-5-16-36)37-17-6-3-7-18-37)31-43(46)40-26-29-51-53(54(40)59)42-21-11-13-23-50(42)60-51/h2*2-30H;2-32H
InChIKeyAAQIVMIGTOTUBN-UHFFFAOYSA-N
XLogP43.73
TPSA166.55 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002293.60
LogP ≤ 543.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 5-benzo[c]carbazol-7-yl-2-(3-carbazol-9-yl-[1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(9-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzonitrile with MolForge

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Related Compounds

4,7-Bis(10-tert-butyl-[1]benzofuro[2,3-b]carbazol-7-yl)-1,1,3,3-tetrafluoro-2-benzofuran-5,6-dicarbonitrile
CID 122609757
N-(4-fluorophenyl)-N-naphthalen-1-yl-29-(3-naphthalen-1-ylphenyl)-9,24-dioxa-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),18,20,22,26-tridecaen-7-amine
CID 130381860
2,6-Bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
CID 134473301
2,6-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137381360
3,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137381736
4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137381782
4,5-Bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137381787
2,6-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-3-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137382166
2,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137382180
2-([1]Benzofuro[3,2-a]carbazol-12-yl)-4-[2-cyano-6-(trifluoromethyl)phenyl]-5-(6,7-dihydro-[1]benzofuro[3,2-a]carbazol-12-yl)benzonitrile
CID 137382181
2-([1]Benzofuro[3,2-a]carbazol-12-yl)-6-[4-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-4-[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazol-9-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386371
2,6-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386458

Frequently Asked Questions

What is the IUPAC name of 5-benzo[c]carbazol-7-yl-2-(3-carbazol-9-yl-[1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(9-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzonitrile?
The IUPAC name of 5-benzo[c]carbazol-7-yl-2-(3-carbazol-9-yl-[1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(9-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzonitrile (CID 157054953) is 5-benzo[c]carbazol-7-yl-2-(3-carbazol-9-yl-[1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(9-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzonitrile.
What is the SMILES notation for 5-benzo[c]carbazol-7-yl-2-(3-carbazol-9-yl-[1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(9-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzonitrile?
The canonical SMILES for 5-benzo[c]carbazol-7-yl-2-(3-carbazol-9-yl-[1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(9-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzonitrile is [C-]#[N+]c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3ccc4c5ccccc5oc4c32)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3ccc4oc5ccccc5c4c32)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3ccc4oc5ccccc5c4c32)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21.
What is the InChIKey of 5-benzo[c]carbazol-7-yl-2-(3-carbazol-9-yl-[1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(9-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzonitrile?
The InChIKey is AAQIVMIGTOTUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H29N5O.C54H31N5O/c1-56-43-30-49(33(31-55)28-50(43)58-46-20-10-6-17-41(46)52-35-13-3-2-12-32(35)22-26-48(52)58)59-47-27-23-34(57-44-18-8-4-14-36(44)37-15-5-9-19-45(37)57)29-42(47)39-24-25-40-38-16-7-11-21-51(38)60-54(40)53(39)59;1-56-42-30-48(33(31-55)28-49(42)58-45-20-10-6-16-39(45)52-35-13-3-2-12-32(35)22-25-47(52)58)59-46-26-23-34(57-43-18-8-4-14-36(43)37-15-5-9-19-44(37)57)29-41(46)38-24-27-51-53(54(38)59)40-17-7-11-21-50(40)60-51;1-56-44-32-48(35(33-55)30-49(44)58-45-22-12-10-20-41(45)52-39-19-9-8-14-34(39)24-27-47(52)58)59-46-28-25-38(57(36-15-4-2-5-16-36)37-17-6-3-7-18-37)31-43(46)40-26-29-51-53(54(40)59)42-21-11-13-23-50(42)60-51/h2*2-30H;2-32H.
What are the key properties of 5-benzo[c]carbazol-7-yl-2-(3-carbazol-9-yl-[1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(9-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzonitrile?
5-benzo[c]carbazol-7-yl-2-(3-carbazol-9-yl-[1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(9-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzonitrile has a molecular weight of 2293.60 g/mol, XLogP of 43.73, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzo[c]carbazol-7-yl-2-(3-carbazol-9-yl-[1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(9-carbazol-9-yl-[1]benzofuro[3,2-a]carbazol-12-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzonitrile is sourced from PubChem (CID 157054953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).