4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)-3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]benzonitrile

C41H30N2O — CID 126596359

IUPAC4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)-3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]benzonitrile
SMILESC=Cc1c(/C=C\C)c2ccccc2n1-c1cc(C#N)ccc1-c1ccc2oc3c4c(ccc3c2c1)C(C)(C)c1ccccc1-4
InChIInChI=1S/C41H30N2O/c1-5-11-28-29-12-8-10-15-36(29)43(35(28)6-2)37-22-25(24-42)16-18-27(37)26-17-21-38-32(23-26)30-19-20-34-39(40(30)44-38)31-13-7-9-14-33(31)41(34,3)4/h5-23H,2H2,1,3-4H3/b11-5-
InChIKeyPBVJVRDLKWWYMP-WZUFQYTHSA-N
MW566.70 g/mol
LogP11.05
Rot. Bonds4

About 4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)-3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]benzonitrile

4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)-3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]benzonitrile (PubChem CID 126596359) has the molecular formula C41H30N2O and a molecular weight of 566.70 g/mol. Its IUPAC name is 4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)-3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]benzonitrile.

Molecular Properties

Compound Name4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)-3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]benzonitrile
PubChem CID126596359
Molecular FormulaC41H30N2O
Molecular Weight566.70 g/mol
Exact Mass566.24
IUPAC Name4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)-3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]benzonitrile
SMILESC=Cc1c(/C=C\C)c2ccccc2n1-c1cc(C#N)ccc1-c1ccc2oc3c4c(ccc3c2c1)C(C)(C)c1ccccc1-4
InChIInChI=1S/C41H30N2O/c1-5-11-28-29-12-8-10-15-36(29)43(35(28)6-2)37-22-25(24-42)16-18-27(37)26-17-21-38-32(23-26)30-19-20-34-39(40(30)44-38)31-13-7-9-14-33(31)41(34,3)4/h5-23H,2H2,1,3-4H3/b11-5-
InChIKeyPBVJVRDLKWWYMP-WZUFQYTHSA-N
XLogP11.05
TPSA41.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.70
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-carbazol-9-yl-3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)benzonitrile
CID 126577673
3-dibenzofuran-4-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6-(8-methyldibenzofuran-4-yl)carbazole
CID 134511671
8-[2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]dibenzofuran-4-carbonitrile
CID 170382424
3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 118099158
9-[2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)-3-isocyanophenyl]carbazole-3-carbonitrile
CID 153462903
9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]carbazole-3-carbonitrile
CID 126582541
9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
CID 118099209
9-[4-[2-cyano-5-[2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155085788
9-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile
CID 167006494
3-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile
CID 144604962
4-(2-carbazol-9-ylphenyl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]furo[2,3-a]carbazol-10-yl]benzonitrile
CID 129300009
2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 118099198

Frequently Asked Questions

What is the IUPAC name of 4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)-3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]benzonitrile?
The IUPAC name of 4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)-3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]benzonitrile (CID 126596359) is 4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)-3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]benzonitrile.
What is the SMILES notation for 4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)-3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]benzonitrile?
The canonical SMILES for 4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)-3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]benzonitrile is C=Cc1c(/C=C\C)c2ccccc2n1-c1cc(C#N)ccc1-c1ccc2oc3c4c(ccc3c2c1)C(C)(C)c1ccccc1-4.
What is the InChIKey of 4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)-3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]benzonitrile?
The InChIKey is PBVJVRDLKWWYMP-WZUFQYTHSA-N. The full InChI is InChI=1S/C41H30N2O/c1-5-11-28-29-12-8-10-15-36(29)43(35(28)6-2)37-22-25(24-42)16-18-27(37)26-17-21-38-32(23-26)30-19-20-34-39(40(30)44-38)31-13-7-9-14-33(31)41(34,3)4/h5-23H,2H2,1,3-4H3/b11-5-.
What are the key properties of 4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)-3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]benzonitrile?
4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)-3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]benzonitrile has a molecular weight of 566.70 g/mol, XLogP of 11.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)-3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]benzonitrile is sourced from PubChem (CID 126596359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).