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

C48H29N3O — CID 122576028

IUPAC2-dibenzofuran-2-yl-6-[3-(4,6-diphenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1c(-c2ccc3oc4ccccc4c3c2)cccc1-n1c2ccccc2c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C48H29N3O/c49-30-41-36(33-23-25-48-40(26-33)38-17-8-10-21-47(38)52-48)18-11-20-45(41)51-44-19-9-7-16-37(44)39-27-34(22-24-46(39)51)43-29-35(31-12-3-1-4-13-31)28-42(50-43)32-14-5-2-6-15-32/h1-29H
InChIKeyCNNJXOQXRYSXML-UHFFFAOYSA-N
MW663.78 g/mol
LogP12.62
Rot. Bonds5

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

2-dibenzofuran-2-yl-6-[3-(4,6-diphenyl-2-pyridinyl)carbazol-9-yl]benzonitrile (PubChem CID 122576028) has the molecular formula C48H29N3O and a molecular weight of 663.78 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-6-[3-(4,6-diphenyl-2-pyridinyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-6-[3-(4,6-diphenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
PubChem CID122576028
Molecular FormulaC48H29N3O
Molecular Weight663.78 g/mol
Exact Mass663.23
IUPAC Name2-dibenzofuran-2-yl-6-[3-(4,6-diphenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1c(-c2ccc3oc4ccccc4c3c2)cccc1-n1c2ccccc2c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C48H29N3O/c49-30-41-36(33-23-25-48-40(26-33)38-17-8-10-21-47(38)52-48)18-11-20-45(41)51-44-19-9-7-16-37(44)39-27-34(22-24-46(39)51)43-29-35(31-12-3-1-4-13-31)28-42(50-43)32-14-5-2-6-15-32/h1-29H
InChIKeyCNNJXOQXRYSXML-UHFFFAOYSA-N
XLogP12.62
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-2-yl-6-[3-(2,6-diphenylpyrimidin-4-yl)carbazol-9-yl]benzonitrile
CID 122576014
2-dibenzofuran-2-yl-6-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 122576020
9-(2-dibenzofuran-4-ylphenyl)-3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole
CID 118149283
2-dibenzofuran-2-yl-3-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 122575891
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-(3-dibenzofuran-2-ylphenyl)-3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole
CID 118149420
3-[2,6-bis(9-dibenzofuran-1-ylcarbazol-3-yl)-4-pyridinyl]-9-dibenzofuran-1-ylcarbazole
CID 90291738
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
9-(2-dibenzofuran-4-ylphenyl)-3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-3-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158166248
2-(12-dibenzofuran-2-yltriphenylen-2-yl)-4,6-diphenylpyridine;3-[11-(4,6-diphenyl-2-pyridinyl)triphenylen-1-yl]-9-phenylcarbazole;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]-9-phenylcarbazole
CID 159916327
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-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164956340

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-6-[3-(4,6-diphenyl-2-pyridinyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 2-dibenzofuran-2-yl-6-[3-(4,6-diphenyl-2-pyridinyl)carbazol-9-yl]benzonitrile (CID 122576028) is 2-dibenzofuran-2-yl-6-[3-(4,6-diphenyl-2-pyridinyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2-dibenzofuran-2-yl-6-[3-(4,6-diphenyl-2-pyridinyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 2-dibenzofuran-2-yl-6-[3-(4,6-diphenyl-2-pyridinyl)carbazol-9-yl]benzonitrile is N#Cc1c(-c2ccc3oc4ccccc4c3c2)cccc1-n1c2ccccc2c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 2-dibenzofuran-2-yl-6-[3-(4,6-diphenyl-2-pyridinyl)carbazol-9-yl]benzonitrile?
The InChIKey is CNNJXOQXRYSXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3O/c49-30-41-36(33-23-25-48-40(26-33)38-17-8-10-21-47(38)52-48)18-11-20-45(41)51-44-19-9-7-16-37(44)39-27-34(22-24-46(39)51)43-29-35(31-12-3-1-4-13-31)28-42(50-43)32-14-5-2-6-15-32/h1-29H.
What are the key properties of 2-dibenzofuran-2-yl-6-[3-(4,6-diphenyl-2-pyridinyl)carbazol-9-yl]benzonitrile?
2-dibenzofuran-2-yl-6-[3-(4,6-diphenyl-2-pyridinyl)carbazol-9-yl]benzonitrile has a molecular weight of 663.78 g/mol, XLogP of 12.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-6-[3-(4,6-diphenyl-2-pyridinyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 122576028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).