4-(2-carbazol-9-ylphenyl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]furo[2,3-a]carbazol-10-yl]benzonitrile

C44H29N3O — CID 129300009

IUPAC4-(2-carbazol-9-ylphenyl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]furo[2,3-a]carbazol-10-yl]benzonitrile
SMILESC=Cc1c(/C=C\C)oc2c1ccc1c3ccccc3n(-c3cc(C#N)ccc3-c3ccccc3-n3c4ccccc4c4ccccc43)c12
InChIInChI=1S/C44H29N3O/c1-3-13-42-29(4-2)36-25-24-35-33-17-8-12-21-40(33)47(43(35)44(36)48-42)41-26-28(27-45)22-23-34(41)32-16-7-11-20-39(32)46-37-18-9-5-14-30(37)31-15-6-10-19-38(31)46/h3-26H,2H2,1H3/b13-3-
InChIKeyHVZCHQMIBUUZTD-DXNYSGJVSA-N
MW615.74 g/mol
LogP11.84
Rot. Bonds5

About 4-(2-carbazol-9-ylphenyl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]furo[2,3-a]carbazol-10-yl]benzonitrile

4-(2-carbazol-9-ylphenyl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]furo[2,3-a]carbazol-10-yl]benzonitrile (PubChem CID 129300009) has the molecular formula C44H29N3O and a molecular weight of 615.74 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]furo[2,3-a]carbazol-10-yl]benzonitrile.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]furo[2,3-a]carbazol-10-yl]benzonitrile
PubChem CID129300009
Molecular FormulaC44H29N3O
Molecular Weight615.74 g/mol
Exact Mass615.23
IUPAC Name4-(2-carbazol-9-ylphenyl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]furo[2,3-a]carbazol-10-yl]benzonitrile
SMILESC=Cc1c(/C=C\C)oc2c1ccc1c3ccccc3n(-c3cc(C#N)ccc3-c3ccccc3-n3c4ccccc4c4ccccc43)c12
InChIInChI=1S/C44H29N3O/c1-3-13-42-29(4-2)36-25-24-35-33-17-8-12-21-40(33)47(43(35)44(36)48-42)41-26-28(27-45)22-23-34(41)32-16-7-11-20-39(32)46-37-18-9-5-14-30(37)31-15-6-10-19-38(31)46/h3-26H,2H2,1H3/b13-3-
InChIKeyHVZCHQMIBUUZTD-DXNYSGJVSA-N
XLogP11.84
TPSA46.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-10-yl)benzonitrile
CID 126582401
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
CID 154958354
9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 154958564
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-cyano-4-[2-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]carbazol-9-yl]phenyl]phenyl]carbazole-1-carbonitrile
CID 154958001
3-(2-carbazol-9-ylphenyl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 129291095
9-[2-[2-(3-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081146
4-carbazol-9-yl-3-[2-carbazol-9-yl-4-(trifluoromethyl)phenyl]benzonitrile
CID 139526319
9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 134337735
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
8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958597
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 154958136

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]furo[2,3-a]carbazol-10-yl]benzonitrile?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]furo[2,3-a]carbazol-10-yl]benzonitrile (CID 129300009) is 4-(2-carbazol-9-ylphenyl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]furo[2,3-a]carbazol-10-yl]benzonitrile.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]furo[2,3-a]carbazol-10-yl]benzonitrile?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]furo[2,3-a]carbazol-10-yl]benzonitrile is C=Cc1c(/C=C\C)oc2c1ccc1c3ccccc3n(-c3cc(C#N)ccc3-c3ccccc3-n3c4ccccc4c4ccccc43)c12.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]furo[2,3-a]carbazol-10-yl]benzonitrile?
The InChIKey is HVZCHQMIBUUZTD-DXNYSGJVSA-N. The full InChI is InChI=1S/C44H29N3O/c1-3-13-42-29(4-2)36-25-24-35-33-17-8-12-21-40(33)47(43(35)44(36)48-42)41-26-28(27-45)22-23-34(41)32-16-7-11-20-39(32)46-37-18-9-5-14-30(37)31-15-6-10-19-38(31)46/h3-26H,2H2,1H3/b13-3-.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]furo[2,3-a]carbazol-10-yl]benzonitrile?
4-(2-carbazol-9-ylphenyl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]furo[2,3-a]carbazol-10-yl]benzonitrile has a molecular weight of 615.74 g/mol, XLogP of 11.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbazol-9-ylphenyl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]furo[2,3-a]carbazol-10-yl]benzonitrile is sourced from PubChem (CID 129300009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).