9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-1-methyl-1,2-dihydrocarbazole-3-carbonitrile

C42H29N3O — CID 126596367

IUPAC9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-1-methyl-1,2-dihydrocarbazole-3-carbonitrile
SMILESCC1CC(C#N)=Cc2c1n(-c1cccc(C#N)c1-c1ccc3c(c1)oc1cc4c(cc13)-c1ccccc1C4(C)C)c1ccccc21
InChIInChI=1S/C42H29N3O/c1-24-17-25(22-43)18-33-29-11-5-7-13-36(29)45(41(24)33)37-14-8-9-27(23-44)40(37)26-15-16-30-32-20-31-28-10-4-6-12-34(28)42(2,3)35(31)21-39(32)46-38(30)19-26/h4-16,18-21,24H,17H2,1-3H3
InChIKeyLLBOOXDWVDNLNT-UHFFFAOYSA-N
MW591.71 g/mol
LogP10.79
Rot. Bonds2

About 9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-1-methyl-1,2-dihydrocarbazole-3-carbonitrile

9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-1-methyl-1,2-dihydrocarbazole-3-carbonitrile (PubChem CID 126596367) has the molecular formula C42H29N3O and a molecular weight of 591.71 g/mol. Its IUPAC name is 9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-1-methyl-1,2-dihydrocarbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-1-methyl-1,2-dihydrocarbazole-3-carbonitrile
PubChem CID126596367
Molecular FormulaC42H29N3O
Molecular Weight591.71 g/mol
Exact Mass591.23
IUPAC Name9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-1-methyl-1,2-dihydrocarbazole-3-carbonitrile
SMILESCC1CC(C#N)=Cc2c1n(-c1cccc(C#N)c1-c1ccc3c(c1)oc1cc4c(cc13)-c1ccccc1C4(C)C)c1ccccc21
InChIInChI=1S/C42H29N3O/c1-24-17-25(22-43)18-33-29-11-5-7-13-36(29)45(41(24)33)37-14-8-9-27(23-44)40(37)26-15-16-30-32-20-31-28-10-4-6-12-34(28)42(2,3)35(31)21-39(32)46-38(30)19-26/h4-16,18-21,24H,17H2,1-3H3
InChIKeyLLBOOXDWVDNLNT-UHFFFAOYSA-N
XLogP10.79
TPSA65.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.71
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-1-methyl-1,2-dihydrocarbazole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]carbazole-3-carbonitrile
CID 126582541
3-(4a,9a-dihydrocarbazol-9-yl)-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)benzonitrile
CID 126596377
3-(1,2-dihydrocarbazol-9-yl)-2-(7,7-dimethylfluoreno[2,3-b][1]benzothiol-3-yl)benzonitrile
CID 139565921
3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 140907299
2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907338
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146336057
5-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 166914017
9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4a,5,6,9a-tetrahydrocarbazole-3-carbonitrile
CID 139565936
7,7-dimethyl-5-[7-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 170277611
9-[2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-3-isocyanophenyl]carbazole-3-carbonitrile
CID 153462882
3-carbazol-9-yl-2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)benzonitrile
CID 126582543
9,19-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-16-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 146228022

Frequently Asked Questions

What is the IUPAC name of 9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-1-methyl-1,2-dihydrocarbazole-3-carbonitrile?
The IUPAC name of 9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-1-methyl-1,2-dihydrocarbazole-3-carbonitrile (CID 126596367) is 9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-1-methyl-1,2-dihydrocarbazole-3-carbonitrile.
What is the SMILES notation for 9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-1-methyl-1,2-dihydrocarbazole-3-carbonitrile?
The canonical SMILES for 9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-1-methyl-1,2-dihydrocarbazole-3-carbonitrile is CC1CC(C#N)=Cc2c1n(-c1cccc(C#N)c1-c1ccc3c(c1)oc1cc4c(cc13)-c1ccccc1C4(C)C)c1ccccc21.
What is the InChIKey of 9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-1-methyl-1,2-dihydrocarbazole-3-carbonitrile?
The InChIKey is LLBOOXDWVDNLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3O/c1-24-17-25(22-43)18-33-29-11-5-7-13-36(29)45(41(24)33)37-14-8-9-27(23-44)40(37)26-15-16-30-32-20-31-28-10-4-6-12-34(28)42(2,3)35(31)21-39(32)46-38(30)19-26/h4-16,18-21,24H,17H2,1-3H3.
What are the key properties of 9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-1-methyl-1,2-dihydrocarbazole-3-carbonitrile?
9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-1-methyl-1,2-dihydrocarbazole-3-carbonitrile has a molecular weight of 591.71 g/mol, XLogP of 10.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-1-methyl-1,2-dihydrocarbazole-3-carbonitrile is sourced from PubChem (CID 126596367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).