3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-2-(9H-fluoren-9-yl)benzonitrile;4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-3-(9H-fluoren-9-yl)benzonitrile;8-[2-(9H-fluoren-9-yl)-5-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran;8-[2-(9H-fluoren-9-yl)-6-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran

C164H108N4O4 — CID 157444708

IUPAC3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-2-(9H-fluoren-9-yl)benzonitrile;4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-3-(9H-fluoren-9-yl)benzonitrile;8-[2-(9H-fluoren-9-yl)-5-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran;8-[2-(9H-fluoren-9-yl)-6-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2ccc3c(oc4ccc(-c5ccc(C#N)cc5C5c6ccccc6-c6ccccc65)cc43)c21.CC1(C)c2ccccc2-c2ccc3c(oc4ccc(-c5cccc(C#N)c5C5c6ccccc6-c6ccccc65)cc43)c21.[C-]#[N+]c1ccc(C2c3ccccc3-c3ccccc32)c(-c2ccc3oc4c5c(ccc4c3c2)-c2ccccc2C5(C)C)c1.[C-]#[N+]c1cccc(C2c3ccccc3-c3ccccc32)c1-c1ccc2oc3c4c(ccc3c2c1)-c1ccccc1C4(C)C
InChIInChI=1S/4C41H27NO/c1-41(2)34-17-9-8-13-27(34)30-20-21-31-33-23-24(19-22-36(33)43-40(31)39(30)41)37-32(16-10-18-35(37)42-3)38-28-14-6-4-11-25(28)26-12-5-7-15-29(26)38;1-41(2)36-15-9-8-12-28(36)32-19-20-33-35-22-24(16-21-37(35)43-40(33)39(32)41)34-23-25(42-3)17-18-31(34)38-29-13-6-4-10-26(29)27-11-5-7-14-30(27)38;1-41(2)35-17-8-7-13-29(35)32-19-20-33-34-22-24(18-21-36(34)43-40(33)39(32)41)26-16-9-10-25(23-42)37(26)38-30-14-5-3-11-27(30)28-12-4-6-15-31(28)38;1-41(2)36-14-8-7-11-29(36)32-18-19-33-34-22-25(16-20-37(34)43-40(33)39(32)41)26-17-15-24(23-42)21-35(26)38-30-12-5-3-9-27(30)28-10-4-6-13-31(28)38/h2*4-23,38H,1-2H3;2*3-22,38H,1-2H3
InChIKeyBSBWZMWJYXDRIH-UHFFFAOYSA-N
MW2198.69 g/mol
LogP43.72
Rot. Bonds8

About 3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-2-(9H-fluoren-9-yl)benzonitrile;4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-3-(9H-fluoren-9-yl)benzonitrile;8-[2-(9H-fluoren-9-yl)-5-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran;8-[2-(9H-fluoren-9-yl)-6-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran

3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-2-(9H-fluoren-9-yl)benzonitrile;4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-3-(9H-fluoren-9-yl)benzonitrile;8-[2-(9H-fluoren-9-yl)-5-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran;8-[2-(9H-fluoren-9-yl)-6-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran (PubChem CID 157444708) has the molecular formula C164H108N4O4 and a molecular weight of 2198.69 g/mol. Its IUPAC name is 3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-2-(9H-fluoren-9-yl)benzonitrile;4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-3-(9H-fluoren-9-yl)benzonitrile;8-[2-(9H-fluoren-9-yl)-5-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran;8-[2-(9H-fluoren-9-yl)-6-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran.

Molecular Properties

Compound Name3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-2-(9H-fluoren-9-yl)benzonitrile;4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-3-(9H-fluoren-9-yl)benzonitrile;8-[2-(9H-fluoren-9-yl)-5-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran;8-[2-(9H-fluoren-9-yl)-6-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran
PubChem CID157444708
Molecular FormulaC164H108N4O4
Molecular Weight2198.69 g/mol
Exact Mass2196.84
IUPAC Name3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-2-(9H-fluoren-9-yl)benzonitrile;4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-3-(9H-fluoren-9-yl)benzonitrile;8-[2-(9H-fluoren-9-yl)-5-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran;8-[2-(9H-fluoren-9-yl)-6-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2ccc3c(oc4ccc(-c5ccc(C#N)cc5C5c6ccccc6-c6ccccc65)cc43)c21.CC1(C)c2ccccc2-c2ccc3c(oc4ccc(-c5cccc(C#N)c5C5c6ccccc6-c6ccccc65)cc43)c21.[C-]#[N+]c1ccc(C2c3ccccc3-c3ccccc32)c(-c2ccc3oc4c5c(ccc4c3c2)-c2ccccc2C5(C)C)c1.[C-]#[N+]c1cccc(C2c3ccccc3-c3ccccc32)c1-c1ccc2oc3c4c(ccc3c2c1)-c1ccccc1C4(C)C
InChIInChI=1S/4C41H27NO/c1-41(2)34-17-9-8-13-27(34)30-20-21-31-33-23-24(19-22-36(33)43-40(31)39(30)41)37-32(16-10-18-35(37)42-3)38-28-14-6-4-11-25(28)26-12-5-7-15-29(26)38;1-41(2)36-15-9-8-12-28(36)32-19-20-33-35-22-24(16-21-37(35)43-40(33)39(32)41)34-23-25(42-3)17-18-31(34)38-29-13-6-4-10-26(29)27-11-5-7-14-30(27)38;1-41(2)35-17-8-7-13-29(35)32-19-20-33-34-22-24(18-21-36(34)43-40(33)39(32)41)26-16-9-10-25(23-42)37(26)38-30-14-5-3-11-27(30)28-12-4-6-15-31(28)38;1-41(2)36-14-8-7-11-29(36)32-18-19-33-34-22-25(16-20-37(34)43-40(33)39(32)41)26-17-15-24(23-42)21-35(26)38-30-12-5-3-9-27(30)28-10-4-6-13-31(28)38/h2*4-23,38H,1-2H3;2*3-22,38H,1-2H3
InChIKeyBSBWZMWJYXDRIH-UHFFFAOYSA-N
XLogP43.72
TPSA108.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002198.69
LogP ≤ 543.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-2-(9H-fluoren-9-yl)benzonitrile;4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-3-(9H-fluoren-9-yl)benzonitrile;8-[2-(9H-fluoren-9-yl)-5-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran;8-[2-(9H-fluoren-9-yl)-6-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran with MolForge

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Related Compounds

4-(12,12-dimethylfluoreno[1,2-b][1]benzothiol-8-yl)-3-(3-isocyano-9H-fluoren-9-yl)benzonitrile
CID 160716391
3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-2-(3-isocyanocarbazol-9-yl)benzonitrile;4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-3-(3-isocyanocarbazol-9-yl)benzonitrile;9-[2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-3-isocyanophenyl]-3-isocyanocarbazole;9-[2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-isocyanophenyl]-3-isocyanocarbazole
CID 158973456
3-(2-carbazol-9-yl-5-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;3-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;2-carbazol-9-yl-3-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile;3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile
CID 159603459
9-[8-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)dibenzofuran-2-yl]-6-isocyanocarbazole-3-carbonitrile
CID 140822776
4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]-3-isocyanobenzonitrile
CID 169045281
2-carbazol-9-yl-3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)benzonitrile
CID 126577673
3-(3-carbazol-9-ylphenyl)-2-(12,12-dimethyl-11H-indeno[2,3-a]fluoren-11-yl)benzonitrile
CID 164730464
2-carbazol-9-yl-3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-3-yl)benzonitrile;3-carbazol-9-yl-4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-3-yl)benzonitrile;9-[2-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-3-yl)-3-isocyanophenyl]carbazole;9-[2-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-3-yl)-4-isocyanophenyl]carbazole;9-[2-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-3-yl)-3-isocyanophenyl]-3-isocyanocarbazole
CID 161315918
2-[6-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-3-yl]-3-isocyanobenzonitrile
CID 155645790
2-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-isocyanophenyl]benzonitrile
CID 140794030
9-[2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)-3-isocyanophenyl]carbazole-3-carbonitrile
CID 153462903
4-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-isocyanophenyl]phenyl]-3-methylbenzonitrile
CID 158163428

Frequently Asked Questions

What is the IUPAC name of 3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-2-(9H-fluoren-9-yl)benzonitrile;4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-3-(9H-fluoren-9-yl)benzonitrile;8-[2-(9H-fluoren-9-yl)-5-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran;8-[2-(9H-fluoren-9-yl)-6-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran?
The IUPAC name of 3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-2-(9H-fluoren-9-yl)benzonitrile;4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-3-(9H-fluoren-9-yl)benzonitrile;8-[2-(9H-fluoren-9-yl)-5-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran;8-[2-(9H-fluoren-9-yl)-6-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran (CID 157444708) is 3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-2-(9H-fluoren-9-yl)benzonitrile;4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-3-(9H-fluoren-9-yl)benzonitrile;8-[2-(9H-fluoren-9-yl)-5-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran;8-[2-(9H-fluoren-9-yl)-6-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran.
What is the SMILES notation for 3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-2-(9H-fluoren-9-yl)benzonitrile;4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-3-(9H-fluoren-9-yl)benzonitrile;8-[2-(9H-fluoren-9-yl)-5-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran;8-[2-(9H-fluoren-9-yl)-6-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran?
The canonical SMILES for 3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-2-(9H-fluoren-9-yl)benzonitrile;4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-3-(9H-fluoren-9-yl)benzonitrile;8-[2-(9H-fluoren-9-yl)-5-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran;8-[2-(9H-fluoren-9-yl)-6-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran is CC1(C)c2ccccc2-c2ccc3c(oc4ccc(-c5ccc(C#N)cc5C5c6ccccc6-c6ccccc65)cc43)c21.CC1(C)c2ccccc2-c2ccc3c(oc4ccc(-c5cccc(C#N)c5C5c6ccccc6-c6ccccc65)cc43)c21.[C-]#[N+]c1ccc(C2c3ccccc3-c3ccccc32)c(-c2ccc3oc4c5c(ccc4c3c2)-c2ccccc2C5(C)C)c1.[C-]#[N+]c1cccc(C2c3ccccc3-c3ccccc32)c1-c1ccc2oc3c4c(ccc3c2c1)-c1ccccc1C4(C)C.
What is the InChIKey of 3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-2-(9H-fluoren-9-yl)benzonitrile;4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-3-(9H-fluoren-9-yl)benzonitrile;8-[2-(9H-fluoren-9-yl)-5-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran;8-[2-(9H-fluoren-9-yl)-6-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran?
The InChIKey is BSBWZMWJYXDRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C41H27NO/c1-41(2)34-17-9-8-13-27(34)30-20-21-31-33-23-24(19-22-36(33)43-40(31)39(30)41)37-32(16-10-18-35(37)42-3)38-28-14-6-4-11-25(28)26-12-5-7-15-29(26)38;1-41(2)36-15-9-8-12-28(36)32-19-20-33-35-22-24(16-21-37(35)43-40(33)39(32)41)34-23-25(42-3)17-18-31(34)38-29-13-6-4-10-26(29)27-11-5-7-14-30(27)38;1-41(2)35-17-8-7-13-29(35)32-19-20-33-34-22-24(18-21-36(34)43-40(33)39(32)41)26-16-9-10-25(23-42)37(26)38-30-14-5-3-11-27(30)28-12-4-6-15-31(28)38;1-41(2)36-14-8-7-11-29(36)32-18-19-33-34-22-25(16-20-37(34)43-40(33)39(32)41)26-17-15-24(23-42)21-35(26)38-30-12-5-3-9-27(30)28-10-4-6-13-31(28)38/h2*4-23,38H,1-2H3;2*3-22,38H,1-2H3.
What are the key properties of 3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-2-(9H-fluoren-9-yl)benzonitrile;4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-3-(9H-fluoren-9-yl)benzonitrile;8-[2-(9H-fluoren-9-yl)-5-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran;8-[2-(9H-fluoren-9-yl)-6-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran?
3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-2-(9H-fluoren-9-yl)benzonitrile;4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-3-(9H-fluoren-9-yl)benzonitrile;8-[2-(9H-fluoren-9-yl)-5-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran;8-[2-(9H-fluoren-9-yl)-6-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran has a molecular weight of 2198.69 g/mol, XLogP of 43.72, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-2-(9H-fluoren-9-yl)benzonitrile;4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)-3-(9H-fluoren-9-yl)benzonitrile;8-[2-(9H-fluoren-9-yl)-5-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran;8-[2-(9H-fluoren-9-yl)-6-isocyanophenyl]-12,12-dimethylfluoreno[1,2-b][1]benzofuran is sourced from PubChem (CID 157444708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).