4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-3-methylbenzonitrile

C32H20N2O — CID 122435784

IUPAC4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1-c1ccc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)cc1
InChIInChI=1S/C32H20N2O/c1-20-16-21(19-33)10-15-24(20)22-11-13-23(14-12-22)34-29-8-4-2-6-25(29)27-18-32-28(17-30(27)34)26-7-3-5-9-31(26)35-32/h2-18H,1H3
InChIKeyWRNKUYZXBFYHPS-UHFFFAOYSA-N
MW448.53 g/mol
LogP8.53
Rot. Bonds2

About 4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-3-methylbenzonitrile

4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-3-methylbenzonitrile (PubChem CID 122435784) has the molecular formula C32H20N2O and a molecular weight of 448.53 g/mol. Its IUPAC name is 4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-3-methylbenzonitrile
PubChem CID122435784
Molecular FormulaC32H20N2O
Molecular Weight448.53 g/mol
Exact Mass448.16
IUPAC Name4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1-c1ccc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)cc1
InChIInChI=1S/C32H20N2O/c1-20-16-21(19-33)10-15-24(20)22-11-13-23(14-12-22)34-29-8-4-2-6-25(29)27-18-32-28(17-30(27)34)26-7-3-5-9-31(26)35-32/h2-18H,1H3
InChIKeyWRNKUYZXBFYHPS-UHFFFAOYSA-N
XLogP8.53
TPSA41.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-cyanophenyl]benzonitrile
CID 129300231
4-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile
CID 145126135
4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile
CID 134223410
3-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]-4-carbazol-9-ylbenzonitrile
CID 129300202
9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile
CID 118396690
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 134223661
11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 167193420
4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline
CID 175536388
3-[[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-(4-carbazol-9-ylphenyl)-(3-methylphenyl)silyl]benzonitrile
CID 163608508

Frequently Asked Questions

What is the IUPAC name of 4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-3-methylbenzonitrile?
The IUPAC name of 4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-3-methylbenzonitrile (CID 122435784) is 4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-3-methylbenzonitrile.
What is the SMILES notation for 4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-3-methylbenzonitrile?
The canonical SMILES for 4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-3-methylbenzonitrile is Cc1cc(C#N)ccc1-c1ccc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)cc1.
What is the InChIKey of 4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-3-methylbenzonitrile?
The InChIKey is WRNKUYZXBFYHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2O/c1-20-16-21(19-33)10-15-24(20)22-11-13-23(14-12-22)34-29-8-4-2-6-25(29)27-18-32-28(17-30(27)34)26-7-3-5-9-31(26)35-32/h2-18H,1H3.
What are the key properties of 4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-3-methylbenzonitrile?
4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-3-methylbenzonitrile has a molecular weight of 448.53 g/mol, XLogP of 8.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-3-methylbenzonitrile is sourced from PubChem (CID 122435784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).