5-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzofuran-2-yloxybenzonitrile

C43H25N3O2 — CID 146374193

IUPAC5-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzofuran-2-yloxybenzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)ccc1Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C43H25N3O2/c44-26-27-23-28(18-21-41(27)47-30-19-22-43-36(25-30)34-12-4-8-16-42(34)48-43)45-39-15-7-3-11-33(39)35-24-29(17-20-40(35)45)46-37-13-5-1-9-31(37)32-10-2-6-14-38(32)46/h1-25H
InChIKeyPUQDUTXWYAZFJN-UHFFFAOYSA-N
MW615.69 g/mol
LogP11.44
Rot. Bonds4

About 5-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzofuran-2-yloxybenzonitrile

5-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzofuran-2-yloxybenzonitrile (PubChem CID 146374193) has the molecular formula C43H25N3O2 and a molecular weight of 615.69 g/mol. Its IUPAC name is 5-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzofuran-2-yloxybenzonitrile.

Molecular Properties

Compound Name5-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzofuran-2-yloxybenzonitrile
PubChem CID146374193
Molecular FormulaC43H25N3O2
Molecular Weight615.69 g/mol
Exact Mass615.19
IUPAC Name5-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzofuran-2-yloxybenzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)ccc1Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C43H25N3O2/c44-26-27-23-28(18-21-41(27)47-30-19-22-43-36(25-30)34-12-4-8-16-42(34)48-43)45-39-15-7-3-11-33(39)35-24-29(17-20-40(35)45)46-37-13-5-1-9-31(37)32-10-2-6-14-38(32)46/h1-25H
InChIKeyPUQDUTXWYAZFJN-UHFFFAOYSA-N
XLogP11.44
TPSA56.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.69
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-carbazol-9-yl-2-dibenzofuran-4-yloxybenzonitrile
CID 146374095
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
2-[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-2-yl]benzonitrile
CID 122552677
2-dibenzofuran-2-yloxy-5-nitrobenzonitrile
CID 4280555
9-(3-dibenzofuran-2-yloxyphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 88594610
9-dibenzofuran-2-yl-3-methylcarbazole
CID 90211137
4-[3-[9-(3,4-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 121354175
2-[2-cyano-5-(3-methoxycarbazol-9-yl)phenyl]-4-(3-methoxycarbazol-9-yl)benzonitrile
CID 138749753
2-[2-cyano-4-(3-methoxycarbazol-9-yl)phenyl]-5-(3-methoxycarbazol-9-yl)benzonitrile
CID 138735973
5-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]benzonitrile
CID 138735931
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554

Frequently Asked Questions

What is the IUPAC name of 5-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzofuran-2-yloxybenzonitrile?
The IUPAC name of 5-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzofuran-2-yloxybenzonitrile (CID 146374193) is 5-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzofuran-2-yloxybenzonitrile.
What is the SMILES notation for 5-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzofuran-2-yloxybenzonitrile?
The canonical SMILES for 5-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzofuran-2-yloxybenzonitrile is N#Cc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)ccc1Oc1ccc2oc3ccccc3c2c1.
What is the InChIKey of 5-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzofuran-2-yloxybenzonitrile?
The InChIKey is PUQDUTXWYAZFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3O2/c44-26-27-23-28(18-21-41(27)47-30-19-22-43-36(25-30)34-12-4-8-16-42(34)48-43)45-39-15-7-3-11-33(39)35-24-29(17-20-40(35)45)46-37-13-5-1-9-31(37)32-10-2-6-14-38(32)46/h1-25H.
What are the key properties of 5-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzofuran-2-yloxybenzonitrile?
5-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzofuran-2-yloxybenzonitrile has a molecular weight of 615.69 g/mol, XLogP of 11.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzofuran-2-yloxybenzonitrile is sourced from PubChem (CID 146374193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).