2-dibenzofuran-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzofuran-4-carbonitrile

C49H28N2O2 — CID 147295774

IUPAC2-dibenzofuran-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzofuran-4-carbonitrile
SMILESN#Cc1cc(-c2cccc3c2oc2ccccc23)cc2c1oc1c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cccc12
InChIInChI=1S/C49H28N2O2/c50-29-35-25-34(36-16-9-17-38-37-15-7-8-20-46(37)52-48(36)38)28-42-39-18-10-19-45(49(39)53-47(35)42)51-43-23-21-32(30-11-3-1-4-12-30)26-40(43)41-27-33(22-24-44(41)51)31-13-5-2-6-14-31/h1-28H
InChIKeyCVCBFPUJBASTAY-UHFFFAOYSA-N
MW676.78 g/mol
LogP13.46
Rot. Bonds4

About 2-dibenzofuran-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzofuran-4-carbonitrile

2-dibenzofuran-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzofuran-4-carbonitrile (PubChem CID 147295774) has the molecular formula C49H28N2O2 and a molecular weight of 676.78 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzofuran-4-carbonitrile.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzofuran-4-carbonitrile
PubChem CID147295774
Molecular FormulaC49H28N2O2
Molecular Weight676.78 g/mol
Exact Mass676.22
IUPAC Name2-dibenzofuran-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzofuran-4-carbonitrile
SMILESN#Cc1cc(-c2cccc3c2oc2ccccc23)cc2c1oc1c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cccc12
InChIInChI=1S/C49H28N2O2/c50-29-35-25-34(36-16-9-17-38-37-15-7-8-20-46(37)52-48(36)38)28-42-39-18-10-19-45(49(39)53-47(35)42)51-43-23-21-32(30-11-3-1-4-12-30)26-40(43)41-27-33(22-24-44(41)51)31-13-5-2-6-14-31/h1-28H
InChIKeyCVCBFPUJBASTAY-UHFFFAOYSA-N
XLogP13.46
TPSA55.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.78
LogP ≤ 513.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-carbazol-9-yl-2-dibenzofuran-4-yldibenzofuran-4-carbonitrile
CID 147298764
9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 149026913
6-carbazol-9-yl-2-dibenzofuran-1-yldibenzofuran-4-carbonitrile
CID 153148571
2-dibenzofuran-4-yl-4-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 118920574
9-(8-dibenzofuran-4-yl-6-isocyanodibenzofuran-4-yl)-2-phenylcarbazole
CID 161319606
9-(6-cyano-8-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149228973
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole
CID 170080874
3-[9-dibenzofuran-4-yl-6-[3-[8-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]dibenzofuran-4-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole
CID 137420572
3,4-bis(3,6-diphenylcarbazol-9-yl)dibenzofuran-2-carbonitrile
CID 155139713
9-(6-carbazol-9-yldibenzofuran-2-yl)-3-(8-carbazol-9-yldibenzofuran-4-yl)carbazole;3-[6-[9-(6-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole;9-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole;9-[6-[3-(6-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole
CID 159668391
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzofuran-4-carbonitrile?
The IUPAC name of 2-dibenzofuran-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzofuran-4-carbonitrile (CID 147295774) is 2-dibenzofuran-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzofuran-4-carbonitrile.
What is the SMILES notation for 2-dibenzofuran-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzofuran-4-carbonitrile?
The canonical SMILES for 2-dibenzofuran-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzofuran-4-carbonitrile is N#Cc1cc(-c2cccc3c2oc2ccccc23)cc2c1oc1c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cccc12.
What is the InChIKey of 2-dibenzofuran-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzofuran-4-carbonitrile?
The InChIKey is CVCBFPUJBASTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N2O2/c50-29-35-25-34(36-16-9-17-38-37-15-7-8-20-46(37)52-48(36)38)28-42-39-18-10-19-45(49(39)53-47(35)42)51-43-23-21-32(30-11-3-1-4-12-30)26-40(43)41-27-33(22-24-44(41)51)31-13-5-2-6-14-31/h1-28H.
What are the key properties of 2-dibenzofuran-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzofuran-4-carbonitrile?
2-dibenzofuran-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzofuran-4-carbonitrile has a molecular weight of 676.78 g/mol, XLogP of 13.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzofuran-4-carbonitrile is sourced from PubChem (CID 147295774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).