9-(3-dibenzofuran-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]-6-phenylbenzonitrile;3-[3-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile

C162H87N17O2S — CID 158810751

IUPAC9-(3-dibenzofuran-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]-6-phenylbenzonitrile;3-[3-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile
SMILES[C-]#[N+]c1cc(-c2ccc3oc4ccccc4c3c2)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2ccc3sc4ccccc4c3c2)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc(-c3cccc(C#N)c3)c2)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc(-c3ccccc3)c2C#N)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc3c2oc2ccccc23)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1
InChIInChI=1S/2C33H18N4.2C32H17N3O.C32H17N3S/c1-35-27-13-14-33-31(20-27)30-11-3-4-12-32(30)37(33)29-18-26(17-28(19-29)36-2)25-10-6-9-24(16-25)23-8-5-7-22(15-23)21-34;1-35-24-15-16-33-30(20-24)29-11-6-7-14-32(29)37(33)26-18-23(17-25(19-26)36-2)28-13-8-12-27(31(28)21-34)22-9-4-3-5-10-22;1-33-21-14-15-30-28(19-21)25-8-3-5-12-29(25)35(30)23-17-20(16-22(18-23)34-2)24-10-7-11-27-26-9-4-6-13-31(26)36-32(24)27;2*1-33-22-12-13-30-27(19-22)25-7-3-5-9-29(25)35(30)24-16-21(15-23(18-24)34-2)20-11-14-32-28(17-20)26-8-4-6-10-31(26)36-32/h2*3-20H;3*3-19H
InChIKeyIUQRCPBOGPXNRS-UHFFFAOYSA-N
MW2335.66 g/mol
LogP47.01
Rot. Bonds12

About 9-(3-dibenzofuran-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]-6-phenylbenzonitrile;3-[3-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile

9-(3-dibenzofuran-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]-6-phenylbenzonitrile;3-[3-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile (PubChem CID 158810751) has the molecular formula C162H87N17O2S and a molecular weight of 2335.66 g/mol. Its IUPAC name is 9-(3-dibenzofuran-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]-6-phenylbenzonitrile;3-[3-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name9-(3-dibenzofuran-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]-6-phenylbenzonitrile;3-[3-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile
PubChem CID158810751
Molecular FormulaC162H87N17O2S
Molecular Weight2335.66 g/mol
Exact Mass2333.69
IUPAC Name9-(3-dibenzofuran-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]-6-phenylbenzonitrile;3-[3-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile
SMILES[C-]#[N+]c1cc(-c2ccc3oc4ccccc4c3c2)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2ccc3sc4ccccc4c3c2)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc(-c3cccc(C#N)c3)c2)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc(-c3ccccc3)c2C#N)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc3c2oc2ccccc23)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1
InChIInChI=1S/2C33H18N4.2C32H17N3O.C32H17N3S/c1-35-27-13-14-33-31(20-27)30-11-3-4-12-32(30)37(33)29-18-26(17-28(19-29)36-2)25-10-6-9-24(16-25)23-8-5-7-22(15-23)21-34;1-35-24-15-16-33-30(20-24)29-11-6-7-14-32(29)37(33)26-18-23(17-25(19-26)36-2)28-13-8-12-27(31(28)21-34)22-9-4-3-5-10-22;1-33-21-14-15-30-28(19-21)25-8-3-5-12-29(25)35(30)23-17-20(16-22(18-23)34-2)24-10-7-11-27-26-9-4-6-13-31(26)36-32(24)27;2*1-33-22-12-13-30-27(19-22)25-7-3-5-9-29(25)35(30)24-16-21(15-23(18-24)34-2)20-11-14-32-28(17-20)26-8-4-6-10-31(26)36-32/h2*3-20H;3*3-19H
InChIKeyIUQRCPBOGPXNRS-UHFFFAOYSA-N
XLogP47.01
TPSA142.11 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms182
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002335.66
LogP ≤ 547.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 9-(3-dibenzofuran-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]-6-phenylbenzonitrile;3-[3-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile with MolForge

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Related Compounds

9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)carbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)carbazole;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 158836336
9-[3-(3-dibenzofuran-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3,5-diphenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-(8-phenyldibenzothiophen-4-yl)phenyl]carbazole
CID 158665228
9-[3-[2-cyano-3-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-(2-cyano-3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 161070419
9-[3-(3-dibenzofuran-2-yl-5-phenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]carbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
CID 159419548
3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile
CID 157380302
3-[2-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)phenyl]benzonitrile
CID 126610434
3-[3-[8-(8-dibenzofuran-1-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]-6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-phenyl-6-[3-(8-phenyldibenzofuran-2-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 157117885
3-carbazol-9-yl-5-(8-phenyldibenzofuran-4-yl)benzonitrile
CID 126761717
3-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160571144
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-dibenzothiophen-2-ylcarbazole
CID 121449399
9-[3-[2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-5-isocyanophenyl]carbazole-3-carbonitrile
CID 140823056
2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 162158216

Frequently Asked Questions

What is the IUPAC name of 9-(3-dibenzofuran-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]-6-phenylbenzonitrile;3-[3-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile?
The IUPAC name of 9-(3-dibenzofuran-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]-6-phenylbenzonitrile;3-[3-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile (CID 158810751) is 9-(3-dibenzofuran-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]-6-phenylbenzonitrile;3-[3-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile.
What is the SMILES notation for 9-(3-dibenzofuran-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]-6-phenylbenzonitrile;3-[3-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile?
The canonical SMILES for 9-(3-dibenzofuran-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]-6-phenylbenzonitrile;3-[3-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile is [C-]#[N+]c1cc(-c2ccc3oc4ccccc4c3c2)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2ccc3sc4ccccc4c3c2)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc(-c3cccc(C#N)c3)c2)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc(-c3ccccc3)c2C#N)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc3c2oc2ccccc23)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.
What is the InChIKey of 9-(3-dibenzofuran-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]-6-phenylbenzonitrile;3-[3-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile?
The InChIKey is IUQRCPBOGPXNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H18N4.2C32H17N3O.C32H17N3S/c1-35-27-13-14-33-31(20-27)30-11-3-4-12-32(30)37(33)29-18-26(17-28(19-29)36-2)25-10-6-9-24(16-25)23-8-5-7-22(15-23)21-34;1-35-24-15-16-33-30(20-24)29-11-6-7-14-32(29)37(33)26-18-23(17-25(19-26)36-2)28-13-8-12-27(31(28)21-34)22-9-4-3-5-10-22;1-33-21-14-15-30-28(19-21)25-8-3-5-12-29(25)35(30)23-17-20(16-22(18-23)34-2)24-10-7-11-27-26-9-4-6-13-31(26)36-32(24)27;2*1-33-22-12-13-30-27(19-22)25-7-3-5-9-29(25)35(30)24-16-21(15-23(18-24)34-2)20-11-14-32-28(17-20)26-8-4-6-10-31(26)36-32/h2*3-20H;3*3-19H.
What are the key properties of 9-(3-dibenzofuran-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]-6-phenylbenzonitrile;3-[3-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile?
9-(3-dibenzofuran-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]-6-phenylbenzonitrile;3-[3-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile has a molecular weight of 2335.66 g/mol, XLogP of 47.01, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-dibenzofuran-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]-6-phenylbenzonitrile;3-[3-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile is sourced from PubChem (CID 158810751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).