2-dibenzofuran-2-yl-3-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile

C47H28N4O — CID 122575891

IUPAC2-dibenzofuran-2-yl-3-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc32)c1-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C47H28N4O/c48-29-34-16-11-20-43(46(34)32-23-25-45-38(26-32)36-18-8-10-21-44(36)52-45)51-41-19-9-7-17-35(41)37-27-33(22-24-42(37)51)47-49-39(30-12-3-1-4-13-30)28-40(50-47)31-14-5-2-6-15-31/h1-28H
InChIKeyIOSVWVRFRNPBPQ-UHFFFAOYSA-N
MW664.77 g/mol
LogP12.01
Rot. Bonds5

About 2-dibenzofuran-2-yl-3-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile

2-dibenzofuran-2-yl-3-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile (PubChem CID 122575891) has the molecular formula C47H28N4O and a molecular weight of 664.77 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-3-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-3-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile
PubChem CID122575891
Molecular FormulaC47H28N4O
Molecular Weight664.77 g/mol
Exact Mass664.23
IUPAC Name2-dibenzofuran-2-yl-3-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc32)c1-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C47H28N4O/c48-29-34-16-11-20-43(46(34)32-23-25-45-38(26-32)36-18-8-10-21-44(36)52-45)51-41-19-9-7-17-35(41)37-27-33(22-24-42(37)51)47-49-39(30-12-3-1-4-13-30)28-40(50-47)31-14-5-2-6-15-31/h1-28H
InChIKeyIOSVWVRFRNPBPQ-UHFFFAOYSA-N
XLogP12.01
TPSA67.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.77
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-2-yl-6-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 122576020
2-dibenzofuran-2-yl-6-[3-(2,6-diphenylpyrimidin-4-yl)carbazol-9-yl]benzonitrile
CID 122576014
3-carbazol-9-yl-2-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]benzonitrile
CID 122575905
2-dibenzofuran-2-yl-6-[3-(4,6-diphenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 122576028
9-(4-dibenzofuran-2-ylphenyl)-3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 159961245
3-carbazol-9-yl-2-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile
CID 122575895
9-[3-cyano-2-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 126582483
3-dibenzofuran-2-yl-9-[4-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 126632003
3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164956340
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 70659228
5-[8-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]dibenzofuran-2-yl]benzene-1,3-dicarbonitrile
CID 122575941
3-dibenzofuran-2-yl-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole
CID 163626219

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-3-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile?
The IUPAC name of 2-dibenzofuran-2-yl-3-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile (CID 122575891) is 2-dibenzofuran-2-yl-3-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2-dibenzofuran-2-yl-3-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 2-dibenzofuran-2-yl-3-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile is N#Cc1cccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc32)c1-c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-dibenzofuran-2-yl-3-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile?
The InChIKey is IOSVWVRFRNPBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4O/c48-29-34-16-11-20-43(46(34)32-23-25-45-38(26-32)36-18-8-10-21-44(36)52-45)51-41-19-9-7-17-35(41)37-27-33(22-24-42(37)51)47-49-39(30-12-3-1-4-13-30)28-40(50-47)31-14-5-2-6-15-31/h1-28H.
What are the key properties of 2-dibenzofuran-2-yl-3-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile?
2-dibenzofuran-2-yl-3-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile has a molecular weight of 664.77 g/mol, XLogP of 12.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-3-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 122575891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).