2-carbazol-9-yl-3-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile

C48H29N3S — CID 122575973

IUPAC2-carbazol-9-yl-3-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3sc4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4c3c2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C48H29N3S/c49-30-35-16-11-19-37(48(35)51-44-20-9-7-17-38(44)39-18-8-10-21-45(39)51)33-22-24-46-40(26-33)41-27-34(23-25-47(41)52-46)43-29-36(31-12-3-1-4-13-31)28-42(50-43)32-14-5-2-6-15-32/h1-29H
InChIKeyBMYPCWJLQBOJFC-UHFFFAOYSA-N
MW679.85 g/mol
LogP13.09
Rot. Bonds5

About 2-carbazol-9-yl-3-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile

2-carbazol-9-yl-3-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile (PubChem CID 122575973) has the molecular formula C48H29N3S and a molecular weight of 679.85 g/mol. Its IUPAC name is 2-carbazol-9-yl-3-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-3-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile
PubChem CID122575973
Molecular FormulaC48H29N3S
Molecular Weight679.85 g/mol
Exact Mass679.21
IUPAC Name2-carbazol-9-yl-3-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3sc4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4c3c2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C48H29N3S/c49-30-35-16-11-19-37(48(35)51-44-20-9-7-17-38(44)39-18-8-10-21-45(39)51)33-22-24-46-40(26-33)41-27-34(23-25-47(41)52-46)43-29-36(31-12-3-1-4-13-31)28-42(50-43)32-14-5-2-6-15-32/h1-29H
InChIKeyBMYPCWJLQBOJFC-UHFFFAOYSA-N
XLogP13.09
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.85
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbazol-9-yl-2-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile
CID 122575895
2-carbazol-9-yl-3-[16-(2-cyanophenyl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]benzonitrile
CID 126582442
9-[2-cyano-6-(8-cyanodibenzothiophen-2-yl)phenyl]carbazole-3-carbonitrile
CID 122575971
2-carbazol-9-yl-3-[18-(3-cyanophenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]benzonitrile
CID 126582418
2-carbazol-9-yl-5-(4,6-diphenyl-2-pyridinyl)-3-phenylbenzonitrile
CID 175219321
3-carbazol-9-yl-2-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]benzonitrile
CID 122575905
2-carbazol-9-yl-3-[18-(4-isocyanophenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]benzonitrile
CID 153462821
2-carbazol-9-yl-3-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile
CID 167336323
2-carbazol-9-yl-3-(4-cyano-3-dibenzothiophen-2-ylphenyl)benzonitrile;3-(2-carbazol-9-ylphenyl)-5-dibenzothiophen-2-ylbenzonitrile;4-(2-carbazol-9-ylphenyl)-2-dibenzothiophen-2-ylbenzonitrile
CID 163585093
9-(8-phenyldibenzothiophen-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 139556197
2-[4-[4-phenyl-6-[8-(9-triphenylen-2-ylcarbazol-3-yl)-[1]benzothiolo[3,2-c]pyridin-1-yl]-2-pyridinyl]phenyl]benzonitrile
CID 155327179
2-[3-(3-dibenzothiophen-2-yl-2-phenylphenyl)phenyl]-4,6-diphenylpyridine
CID 174327283

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-3-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile?
The IUPAC name of 2-carbazol-9-yl-3-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile (CID 122575973) is 2-carbazol-9-yl-3-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile.
What is the SMILES notation for 2-carbazol-9-yl-3-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile?
The canonical SMILES for 2-carbazol-9-yl-3-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile is N#Cc1cccc(-c2ccc3sc4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4c3c2)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-yl-3-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile?
The InChIKey is BMYPCWJLQBOJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3S/c49-30-35-16-11-19-37(48(35)51-44-20-9-7-17-38(44)39-18-8-10-21-45(39)51)33-22-24-46-40(26-33)41-27-34(23-25-47(41)52-46)43-29-36(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-carbazol-9-yl-3-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile?
2-carbazol-9-yl-3-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile has a molecular weight of 679.85 g/mol, XLogP of 13.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-3-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile is sourced from PubChem (CID 122575973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).