2-(7-dibenzothiophen-2-ylbenzo[c]carbazol-10-yl)-3-isocyanobenzonitrile

C36H19N3S — CID 155645624

IUPAC2-(7-dibenzothiophen-2-ylbenzo[c]carbazol-10-yl)-3-isocyanobenzonitrile
SMILES[C-]#[N+]c1cccc(C#N)c1-c1ccc2c(c1)c1c3ccccc3ccc1n2-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C36H19N3S/c1-38-30-11-6-8-24(21-37)35(30)23-14-16-31-29(19-23)36-26-9-3-2-7-22(26)13-17-32(36)39(31)25-15-18-34-28(20-25)27-10-4-5-12-33(27)40-34/h2-20H
InChIKeyTZBPPFAJODWQDX-UHFFFAOYSA-N
MW525.64 g/mol
LogP10.39
Rot. Bonds2

About 2-(7-dibenzothiophen-2-ylbenzo[c]carbazol-10-yl)-3-isocyanobenzonitrile

2-(7-dibenzothiophen-2-ylbenzo[c]carbazol-10-yl)-3-isocyanobenzonitrile (PubChem CID 155645624) has the molecular formula C36H19N3S and a molecular weight of 525.64 g/mol. Its IUPAC name is 2-(7-dibenzothiophen-2-ylbenzo[c]carbazol-10-yl)-3-isocyanobenzonitrile.

Molecular Properties

Compound Name2-(7-dibenzothiophen-2-ylbenzo[c]carbazol-10-yl)-3-isocyanobenzonitrile
PubChem CID155645624
Molecular FormulaC36H19N3S
Molecular Weight525.64 g/mol
Exact Mass525.13
IUPAC Name2-(7-dibenzothiophen-2-ylbenzo[c]carbazol-10-yl)-3-isocyanobenzonitrile
SMILES[C-]#[N+]c1cccc(C#N)c1-c1ccc2c(c1)c1c3ccccc3ccc1n2-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C36H19N3S/c1-38-30-11-6-8-24(21-37)35(30)23-14-16-31-29(19-23)36-26-9-3-2-7-22(26)13-17-32(36)39(31)25-15-18-34-28(20-25)27-10-4-5-12-33(27)40-34/h2-20H
InChIKeyTZBPPFAJODWQDX-UHFFFAOYSA-N
XLogP10.39
TPSA33.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.64
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis(10-dibenzothiophen-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile
CID 153462253
2-[6-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-3-yl]-3-isocyanobenzonitrile
CID 155645790
3-isocyano-2-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]benzonitrile
CID 155645685
5-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-isocyano-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
CID 153462620
2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzothiolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 121329260
5-(21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-21-yl)-4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile;5-benzo[c]carbazol-7-yl-2-(10-dibenzothiophen-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[10-(9-phenylcarbazol-2-yl)benzo[c]carbazol-7-yl]benzonitrile
CID 159669911
2-[5-(2-cyano-6-isocyanophenyl)-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155645644
5-benzo[c]carbazol-7-yl-4-isocyano-2-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]benzonitrile
CID 153462349
5-isocyano-2,4-bis(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
CID 153462263
7-dibenzothiophen-2-yl-9-methylbenzo[c]carbazole
CID 145362377
5-([1]benzothiolo[2,3-a]carbazol-12-yl)-4-isocyano-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile;5-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-isocyano-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile;5-([1]benzothiolo[2,3-b]carbazol-7-yl)-4-isocyano-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
CID 158697678
10-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 162481431

Frequently Asked Questions

What is the IUPAC name of 2-(7-dibenzothiophen-2-ylbenzo[c]carbazol-10-yl)-3-isocyanobenzonitrile?
The IUPAC name of 2-(7-dibenzothiophen-2-ylbenzo[c]carbazol-10-yl)-3-isocyanobenzonitrile (CID 155645624) is 2-(7-dibenzothiophen-2-ylbenzo[c]carbazol-10-yl)-3-isocyanobenzonitrile.
What is the SMILES notation for 2-(7-dibenzothiophen-2-ylbenzo[c]carbazol-10-yl)-3-isocyanobenzonitrile?
The canonical SMILES for 2-(7-dibenzothiophen-2-ylbenzo[c]carbazol-10-yl)-3-isocyanobenzonitrile is [C-]#[N+]c1cccc(C#N)c1-c1ccc2c(c1)c1c3ccccc3ccc1n2-c1ccc2sc3ccccc3c2c1.
What is the InChIKey of 2-(7-dibenzothiophen-2-ylbenzo[c]carbazol-10-yl)-3-isocyanobenzonitrile?
The InChIKey is TZBPPFAJODWQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H19N3S/c1-38-30-11-6-8-24(21-37)35(30)23-14-16-31-29(19-23)36-26-9-3-2-7-22(26)13-17-32(36)39(31)25-15-18-34-28(20-25)27-10-4-5-12-33(27)40-34/h2-20H.
What are the key properties of 2-(7-dibenzothiophen-2-ylbenzo[c]carbazol-10-yl)-3-isocyanobenzonitrile?
2-(7-dibenzothiophen-2-ylbenzo[c]carbazol-10-yl)-3-isocyanobenzonitrile has a molecular weight of 525.64 g/mol, XLogP of 10.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-dibenzothiophen-2-ylbenzo[c]carbazol-10-yl)-3-isocyanobenzonitrile is sourced from PubChem (CID 155645624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).