2-carbazol-9-yl-3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)benzonitrile

C40H26N2O — CID 126577673

IUPAC2-carbazol-9-yl-3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)benzonitrile
SMILESCC1(C)c2ccccc2-c2c1ccc1c2oc2ccc(-c3cccc(C#N)c3-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C40H26N2O/c1-40(2)32-15-6-3-13-30(32)37-33(40)20-19-29-31-22-24(18-21-36(31)43-39(29)37)26-14-9-10-25(23-41)38(26)42-34-16-7-4-11-27(34)28-12-5-8-17-35(28)42/h3-22H,1-2H3
InChIKeyKCCPLURBTRNHBQ-UHFFFAOYSA-N
MW550.66 g/mol
LogP10.53
Rot. Bonds2

About 2-carbazol-9-yl-3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)benzonitrile

2-carbazol-9-yl-3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)benzonitrile (PubChem CID 126577673) has the molecular formula C40H26N2O and a molecular weight of 550.66 g/mol. Its IUPAC name is 2-carbazol-9-yl-3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)benzonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)benzonitrile
PubChem CID126577673
Molecular FormulaC40H26N2O
Molecular Weight550.66 g/mol
Exact Mass550.20
IUPAC Name2-carbazol-9-yl-3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)benzonitrile
SMILESCC1(C)c2ccccc2-c2c1ccc1c2oc2ccc(-c3cccc(C#N)c3-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C40H26N2O/c1-40(2)32-15-6-3-13-30(32)37-33(40)20-19-29-31-22-24(18-21-36(31)43-39(29)37)26-14-9-10-25(23-41)38(26)42-34-16-7-4-11-27(34)28-12-5-8-17-35(28)42/h3-22H,1-2H3
InChIKeyKCCPLURBTRNHBQ-UHFFFAOYSA-N
XLogP10.53
TPSA41.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.66
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-carbazol-9-yl-2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)benzonitrile
CID 126582543
3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile
CID 129299824
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
9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
CID 118099209
2-carbazol-9-yl-3-[18-(3-cyanophenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]benzonitrile
CID 126582478
2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 153081427
3,4,5-tri(carbazol-9-yl)-6-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzene-1,2-dicarbonitrile
CID 146325220
2-carbazol-9-yl-3-(18-isocyano-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)benzonitrile
CID 153462784
2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 166572299
3-dibenzofuran-4-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6-(8-methyldibenzofuran-4-yl)carbazole
CID 134511671
9-[3-cyano-2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]carbazole-3-carbonitrile
CID 126582541
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 2-carbazol-9-yl-3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)benzonitrile?
The IUPAC name of 2-carbazol-9-yl-3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)benzonitrile (CID 126577673) is 2-carbazol-9-yl-3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)benzonitrile.
What is the SMILES notation for 2-carbazol-9-yl-3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)benzonitrile?
The canonical SMILES for 2-carbazol-9-yl-3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)benzonitrile is CC1(C)c2ccccc2-c2c1ccc1c2oc2ccc(-c3cccc(C#N)c3-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 2-carbazol-9-yl-3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)benzonitrile?
The InChIKey is KCCPLURBTRNHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2O/c1-40(2)32-15-6-3-13-30(32)37-33(40)20-19-29-31-22-24(18-21-36(31)43-39(29)37)26-14-9-10-25(23-41)38(26)42-34-16-7-4-11-27(34)28-12-5-8-17-35(28)42/h3-22H,1-2H3.
What are the key properties of 2-carbazol-9-yl-3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)benzonitrile?
2-carbazol-9-yl-3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)benzonitrile has a molecular weight of 550.66 g/mol, XLogP of 10.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)benzonitrile is sourced from PubChem (CID 126577673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).