9-[6-(4-isocyano-[1]benzofuro[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile

C148H76N20O2S2 — CID 158200660

IUPAC9-[6-(4-isocyano-[1]benzofuro[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile
SMILES[C-]#[N+]c1cccc2c1oc1cc3c(cc12)c1ccccc1n3-c1cccc(-n2c3ccccc3c3cc(C#N)ccc32)n1.[C-]#[N+]c1cccc2c1oc1cc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6cc(C#N)ccc65)n4)c3cc12.[C-]#[N+]c1cccc2c1sc1cc3c(cc12)c1ccccc1n3-c1cccc(-n2c3ccccc3c3cc(C#N)ccc32)n1.[C-]#[N+]c1cccc2c1sc1cc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6cc(C#N)ccc65)n4)c3cc12
InChIInChI=1S/2C37H19N5O.2C37H19N5S/c1-39-29-11-6-10-25-28-19-33-27(20-34(28)43-37(25)29)24-9-3-5-13-31(24)42(33)36-15-7-14-35(40-36)41-30-12-4-2-8-23(30)26-18-22(21-38)16-17-32(26)41;1-39-29-11-6-10-25-28-19-27-24-9-3-5-13-31(24)42(33(27)20-34(28)43-37(25)29)36-15-7-14-35(40-36)41-30-12-4-2-8-23(30)26-18-22(21-38)16-17-32(26)41;1-39-29-11-6-10-25-28-19-33-27(20-34(28)43-37(25)29)24-9-3-5-13-31(24)42(33)36-15-7-14-35(40-36)41-30-12-4-2-8-23(30)26-18-22(21-38)16-17-32(26)41;1-39-29-11-6-10-25-28-19-27-24-9-3-5-13-31(24)42(33(27)20-34(28)43-37(25)29)36-15-7-14-35(40-36)41-30-12-4-2-8-23(30)26-18-22(21-38)16-17-32(26)41/h4*2-20H
InChIKeyGAWVONSQLXADSJ-UHFFFAOYSA-N
MW2230.51 g/mol
LogP39.33
Rot. Bonds8

About 9-[6-(4-isocyano-[1]benzofuro[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile

9-[6-(4-isocyano-[1]benzofuro[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile (PubChem CID 158200660) has the molecular formula C148H76N20O2S2 and a molecular weight of 2230.51 g/mol. Its IUPAC name is 9-[6-(4-isocyano-[1]benzofuro[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[6-(4-isocyano-[1]benzofuro[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile
PubChem CID158200660
Molecular FormulaC148H76N20O2S2
Molecular Weight2230.51 g/mol
Exact Mass2228.59
IUPAC Name9-[6-(4-isocyano-[1]benzofuro[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile
SMILES[C-]#[N+]c1cccc2c1oc1cc3c(cc12)c1ccccc1n3-c1cccc(-n2c3ccccc3c3cc(C#N)ccc32)n1.[C-]#[N+]c1cccc2c1oc1cc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6cc(C#N)ccc65)n4)c3cc12.[C-]#[N+]c1cccc2c1sc1cc3c(cc12)c1ccccc1n3-c1cccc(-n2c3ccccc3c3cc(C#N)ccc32)n1.[C-]#[N+]c1cccc2c1sc1cc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6cc(C#N)ccc65)n4)c3cc12
InChIInChI=1S/2C37H19N5O.2C37H19N5S/c1-39-29-11-6-10-25-28-19-33-27(20-34(28)43-37(25)29)24-9-3-5-13-31(24)42(33)36-15-7-14-35(40-36)41-30-12-4-2-8-23(30)26-18-22(21-38)16-17-32(26)41;1-39-29-11-6-10-25-28-19-27-24-9-3-5-13-31(24)42(33(27)20-34(28)43-37(25)29)36-15-7-14-35(40-36)41-30-12-4-2-8-23(30)26-18-22(21-38)16-17-32(26)41;1-39-29-11-6-10-25-28-19-33-27(20-34(28)43-37(25)29)24-9-3-5-13-31(24)42(33)36-15-7-14-35(40-36)41-30-12-4-2-8-23(30)26-18-22(21-38)16-17-32(26)41;1-39-29-11-6-10-25-28-19-27-24-9-3-5-13-31(24)42(33(27)20-34(28)43-37(25)29)36-15-7-14-35(40-36)41-30-12-4-2-8-23(30)26-18-22(21-38)16-17-32(26)41/h4*2-20H
InChIKeyGAWVONSQLXADSJ-UHFFFAOYSA-N
XLogP39.33
TPSA229.88 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002230.51
LogP ≤ 539.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 9-[6-(4-isocyano-[1]benzofuro[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile with MolForge

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Related Compounds

9-[6-(2-isocyano-[1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile
CID 140822672
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
CID 158309650
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile
CID 118650226
9-[3-(11-isocyano-[1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]carbazole-3-carbonitrile
CID 140823105
7-[3-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]-4-isocyano-[1]benzofuro[2,3-b]carbazole-6-carbonitrile
CID 140822839
9-[2-[2-(2-isocyano-[1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140823103
9-[8-(2-isocyano-[1]benzofuro[3,2-b]carbazol-11-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 140822958
9-[2-[2-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 140822705
9-[3-(4,6-diisocyano-[1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 140822680
9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 147349483
9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;3-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile;4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile
CID 159495222
9-[3-[3-(7,11-diisocyano-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-14-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140822981

Frequently Asked Questions

What is the IUPAC name of 9-[6-(4-isocyano-[1]benzofuro[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[6-(4-isocyano-[1]benzofuro[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile (CID 158200660) is 9-[6-(4-isocyano-[1]benzofuro[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[6-(4-isocyano-[1]benzofuro[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[6-(4-isocyano-[1]benzofuro[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile is [C-]#[N+]c1cccc2c1oc1cc3c(cc12)c1ccccc1n3-c1cccc(-n2c3ccccc3c3cc(C#N)ccc32)n1.[C-]#[N+]c1cccc2c1oc1cc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6cc(C#N)ccc65)n4)c3cc12.[C-]#[N+]c1cccc2c1sc1cc3c(cc12)c1ccccc1n3-c1cccc(-n2c3ccccc3c3cc(C#N)ccc32)n1.[C-]#[N+]c1cccc2c1sc1cc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6cc(C#N)ccc65)n4)c3cc12.
What is the InChIKey of 9-[6-(4-isocyano-[1]benzofuro[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile?
The InChIKey is GAWVONSQLXADSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H19N5O.2C37H19N5S/c1-39-29-11-6-10-25-28-19-33-27(20-34(28)43-37(25)29)24-9-3-5-13-31(24)42(33)36-15-7-14-35(40-36)41-30-12-4-2-8-23(30)26-18-22(21-38)16-17-32(26)41;1-39-29-11-6-10-25-28-19-27-24-9-3-5-13-31(24)42(33(27)20-34(28)43-37(25)29)36-15-7-14-35(40-36)41-30-12-4-2-8-23(30)26-18-22(21-38)16-17-32(26)41;1-39-29-11-6-10-25-28-19-33-27(20-34(28)43-37(25)29)24-9-3-5-13-31(24)42(33)36-15-7-14-35(40-36)41-30-12-4-2-8-23(30)26-18-22(21-38)16-17-32(26)41;1-39-29-11-6-10-25-28-19-27-24-9-3-5-13-31(24)42(33(27)20-34(28)43-37(25)29)36-15-7-14-35(40-36)41-30-12-4-2-8-23(30)26-18-22(21-38)16-17-32(26)41/h4*2-20H.
What are the key properties of 9-[6-(4-isocyano-[1]benzofuro[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile?
9-[6-(4-isocyano-[1]benzofuro[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile has a molecular weight of 2230.51 g/mol, XLogP of 39.33, 8 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(4-isocyano-[1]benzofuro[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-(4-isocyano-[1]benzothiolo[3,2-b]carbazol-11-yl)-2-pyridinyl]carbazole-3-carbonitrile is sourced from PubChem (CID 158200660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).