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

C47H28N4O — CID 122576014

IUPAC2-dibenzofuran-2-yl-6-[3-(2,6-diphenylpyrimidin-4-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1c(-c2ccc3oc4ccccc4c3c2)cccc1-n1c2ccccc2c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C47H28N4O/c48-29-39-34(32-23-25-46-38(26-32)36-17-8-10-21-45(36)52-46)18-11-20-43(39)51-42-19-9-7-16-35(42)37-27-33(22-24-44(37)51)41-28-40(30-12-3-1-4-13-30)49-47(50-41)31-14-5-2-6-15-31/h1-28H
InChIKeyIQODGWWXRXPECF-UHFFFAOYSA-N
MW664.77 g/mol
LogP12.01
Rot. Bonds5

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

2-dibenzofuran-2-yl-6-[3-(2,6-diphenylpyrimidin-4-yl)carbazol-9-yl]benzonitrile (PubChem CID 122576014) has the molecular formula C47H28N4O and a molecular weight of 664.77 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-6-[3-(2,6-diphenylpyrimidin-4-yl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-6-[3-(2,6-diphenylpyrimidin-4-yl)carbazol-9-yl]benzonitrile
PubChem CID122576014
Molecular FormulaC47H28N4O
Molecular Weight664.77 g/mol
Exact Mass664.23
IUPAC Name2-dibenzofuran-2-yl-6-[3-(2,6-diphenylpyrimidin-4-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1c(-c2ccc3oc4ccccc4c3c2)cccc1-n1c2ccccc2c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C47H28N4O/c48-29-39-34(32-23-25-46-38(26-32)36-17-8-10-21-45(36)52-46)18-11-20-43(39)51-42-19-9-7-16-35(42)37-27-33(22-24-44(37)51)41-28-40(30-12-3-1-4-13-30)49-47(50-41)31-14-5-2-6-15-31/h1-28H
InChIKeyIQODGWWXRXPECF-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-(4,6-diphenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 122576028
2-dibenzofuran-2-yl-3-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 122575891
3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164956340
10-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 121386100
3-(5-dibenzofuran-2-ylnaphthalen-1-yl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole;3-(5-dibenzofuran-4-ylnaphthalen-1-yl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole;3-(5-dibenzofuran-2-ylnaphthalen-1-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 159689631
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
2-[9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155463317
3,6-di(dibenzofuran-2-yl)-9-[3-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 152589988
3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole
CID 118153906
9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 158561754
3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 122451711

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-6-[3-(2,6-diphenylpyrimidin-4-yl)carbazol-9-yl]benzonitrile?
The IUPAC name of 2-dibenzofuran-2-yl-6-[3-(2,6-diphenylpyrimidin-4-yl)carbazol-9-yl]benzonitrile (CID 122576014) is 2-dibenzofuran-2-yl-6-[3-(2,6-diphenylpyrimidin-4-yl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2-dibenzofuran-2-yl-6-[3-(2,6-diphenylpyrimidin-4-yl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 2-dibenzofuran-2-yl-6-[3-(2,6-diphenylpyrimidin-4-yl)carbazol-9-yl]benzonitrile is N#Cc1c(-c2ccc3oc4ccccc4c3c2)cccc1-n1c2ccccc2c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 2-dibenzofuran-2-yl-6-[3-(2,6-diphenylpyrimidin-4-yl)carbazol-9-yl]benzonitrile?
The InChIKey is IQODGWWXRXPECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4O/c48-29-39-34(32-23-25-46-38(26-32)36-17-8-10-21-45(36)52-46)18-11-20-43(39)51-42-19-9-7-16-35(42)37-27-33(22-24-44(37)51)41-28-40(30-12-3-1-4-13-30)49-47(50-41)31-14-5-2-6-15-31/h1-28H.
What are the key properties of 2-dibenzofuran-2-yl-6-[3-(2,6-diphenylpyrimidin-4-yl)carbazol-9-yl]benzonitrile?
2-dibenzofuran-2-yl-6-[3-(2,6-diphenylpyrimidin-4-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-6-[3-(2,6-diphenylpyrimidin-4-yl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 122576014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).