6-(1,2-benzoxazol-5-yl)-9-dibenzofuran-2-ylcarbazole-3-carbonitrile

C32H17N3O2 — CID 134343725

IUPAC6-(1,2-benzoxazol-5-yl)-9-dibenzofuran-2-ylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3ccc4oncc4c3)ccc1n2-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C32H17N3O2/c33-17-19-5-9-28-25(13-19)26-15-21(20-7-11-30-22(14-20)18-34-37-30)6-10-29(26)35(28)23-8-12-32-27(16-23)24-3-1-2-4-31(24)36-32/h1-16,18H
InChIKeyYREAMQOJANVYOG-UHFFFAOYSA-N
MW475.51 g/mol
LogP8.36
Rot. Bonds2

About 6-(1,2-benzoxazol-5-yl)-9-dibenzofuran-2-ylcarbazole-3-carbonitrile

6-(1,2-benzoxazol-5-yl)-9-dibenzofuran-2-ylcarbazole-3-carbonitrile (PubChem CID 134343725) has the molecular formula C32H17N3O2 and a molecular weight of 475.51 g/mol. Its IUPAC name is 6-(1,2-benzoxazol-5-yl)-9-dibenzofuran-2-ylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name6-(1,2-benzoxazol-5-yl)-9-dibenzofuran-2-ylcarbazole-3-carbonitrile
PubChem CID134343725
Molecular FormulaC32H17N3O2
Molecular Weight475.51 g/mol
Exact Mass475.13
IUPAC Name6-(1,2-benzoxazol-5-yl)-9-dibenzofuran-2-ylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3ccc4oncc4c3)ccc1n2-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C32H17N3O2/c33-17-19-5-9-28-25(13-19)26-15-21(20-7-11-30-22(14-20)18-34-37-30)6-10-29(26)35(28)23-8-12-32-27(16-23)24-3-1-2-4-31(24)36-32/h1-16,18H
InChIKeyYREAMQOJANVYOG-UHFFFAOYSA-N
XLogP8.36
TPSA67.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.51
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile
CID 118152672
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile
CID 118396690
4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile
CID 134223410
8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile
CID 135136147
3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile
CID 122575991
9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)carbazole-3-carbonitrile
CID 121443034
3-carbazol-9-yl-9-[3-carbazol-9-yl-5-(3-methyl-2-pyridinyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3-methyl-2-pyridinyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3-methyl-2-pyridinyl)phenyl]carbazole-3-carbonitrile;9-[3-dibenzofuran-2-yl-5-(3-methyl-2-pyridinyl)phenyl]carbazole
CID 161398484
8-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]dibenzothiophene-2-carbonitrile
CID 89436586
5-[8-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]dibenzofuran-2-yl]benzene-1,3-dicarbonitrile
CID 122575941

Frequently Asked Questions

What is the IUPAC name of 6-(1,2-benzoxazol-5-yl)-9-dibenzofuran-2-ylcarbazole-3-carbonitrile?
The IUPAC name of 6-(1,2-benzoxazol-5-yl)-9-dibenzofuran-2-ylcarbazole-3-carbonitrile (CID 134343725) is 6-(1,2-benzoxazol-5-yl)-9-dibenzofuran-2-ylcarbazole-3-carbonitrile.
What is the SMILES notation for 6-(1,2-benzoxazol-5-yl)-9-dibenzofuran-2-ylcarbazole-3-carbonitrile?
The canonical SMILES for 6-(1,2-benzoxazol-5-yl)-9-dibenzofuran-2-ylcarbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-c3ccc4oncc4c3)ccc1n2-c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 6-(1,2-benzoxazol-5-yl)-9-dibenzofuran-2-ylcarbazole-3-carbonitrile?
The InChIKey is YREAMQOJANVYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H17N3O2/c33-17-19-5-9-28-25(13-19)26-15-21(20-7-11-30-22(14-20)18-34-37-30)6-10-29(26)35(28)23-8-12-32-27(16-23)24-3-1-2-4-31(24)36-32/h1-16,18H.
What are the key properties of 6-(1,2-benzoxazol-5-yl)-9-dibenzofuran-2-ylcarbazole-3-carbonitrile?
6-(1,2-benzoxazol-5-yl)-9-dibenzofuran-2-ylcarbazole-3-carbonitrile has a molecular weight of 475.51 g/mol, XLogP of 8.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-benzoxazol-5-yl)-9-dibenzofuran-2-ylcarbazole-3-carbonitrile is sourced from PubChem (CID 134343725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).