6-(9,9-dimethylxanthen-3-yl)-9-pyridin-3-ylcarbazole-3-carbonitrile

C33H23N3O — CID 121296753

IUPAC6-(9,9-dimethylxanthen-3-yl)-9-pyridin-3-ylcarbazole-3-carbonitrile
SMILESCC1(C)c2ccccc2Oc2cc(-c3ccc4c(c3)c3cc(C#N)ccc3n4-c3cccnc3)ccc21
InChIInChI=1S/C33H23N3O/c1-33(2)27-7-3-4-8-31(27)37-32-18-23(10-12-28(32)33)22-11-14-30-26(17-22)25-16-21(19-34)9-13-29(25)36(30)24-6-5-15-35-20-24/h3-18,20H,1-2H3
InChIKeyYMZHYFLSUBSOSO-UHFFFAOYSA-N
MW477.57 g/mol
LogP8.15
Rot. Bonds2

About 6-(9,9-dimethylxanthen-3-yl)-9-pyridin-3-ylcarbazole-3-carbonitrile

6-(9,9-dimethylxanthen-3-yl)-9-pyridin-3-ylcarbazole-3-carbonitrile (PubChem CID 121296753) has the molecular formula C33H23N3O and a molecular weight of 477.57 g/mol. Its IUPAC name is 6-(9,9-dimethylxanthen-3-yl)-9-pyridin-3-ylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name6-(9,9-dimethylxanthen-3-yl)-9-pyridin-3-ylcarbazole-3-carbonitrile
PubChem CID121296753
Molecular FormulaC33H23N3O
Molecular Weight477.57 g/mol
Exact Mass477.18
IUPAC Name6-(9,9-dimethylxanthen-3-yl)-9-pyridin-3-ylcarbazole-3-carbonitrile
SMILESCC1(C)c2ccccc2Oc2cc(-c3ccc4c(c3)c3cc(C#N)ccc3n4-c3cccnc3)ccc21
InChIInChI=1S/C33H23N3O/c1-33(2)27-7-3-4-8-31(27)37-32-18-23(10-12-28(32)33)22-11-14-30-26(17-22)25-16-21(19-34)9-13-29(25)36(30)24-6-5-15-35-20-24/h3-18,20H,1-2H3
InChIKeyYMZHYFLSUBSOSO-UHFFFAOYSA-N
XLogP8.15
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.57
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(9,9-dimethylxanthen-3-yl)-9-phenylcarbazole-3-carbonitrile
CID 121296752
6-(9,9-dimethylxanthen-2-yl)-9-(4-methylphenyl)carbazole-3-carbonitrile
CID 121297434
4-[N-(9,9-dimethylxanthen-3-yl)-4-(9-phenylcarbazol-3-yl)anilino]benzonitrile
CID 126681162
9-[6'-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]carbazole-3-carbonitrile
CID 146656162
9-(3-carbazol-9-ylphenyl)-6-[5,6'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]carbazole-3-carbonitrile
CID 146656107
6-(9,9-diphenylxanthen-3-yl)-9-quinolin-4-ylcarbazole-3-carbonitrile
CID 121296773
9-[7'-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]carbazole-3-carbonitrile
CID 146656131
9-phenyl-6-(7-phenylpyren-2-yl)carbazole-3-carbonitrile;9-phenyl-6-(7-pyridin-3-ylpyren-2-yl)carbazole-3-carbonitrile
CID 157324768
3-(9,9-diphenylxanthen-2-yl)-6-isocyano-9-pyridin-3-ylcarbazole
CID 140711735
9-[9-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl)pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile
CID 146656013
9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylcarbazole-3-carbonitrile
CID 146655017
9-(11-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3,6-dicarbonitrile
CID 146655314

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylxanthen-3-yl)-9-pyridin-3-ylcarbazole-3-carbonitrile?
The IUPAC name of 6-(9,9-dimethylxanthen-3-yl)-9-pyridin-3-ylcarbazole-3-carbonitrile (CID 121296753) is 6-(9,9-dimethylxanthen-3-yl)-9-pyridin-3-ylcarbazole-3-carbonitrile.
What is the SMILES notation for 6-(9,9-dimethylxanthen-3-yl)-9-pyridin-3-ylcarbazole-3-carbonitrile?
The canonical SMILES for 6-(9,9-dimethylxanthen-3-yl)-9-pyridin-3-ylcarbazole-3-carbonitrile is CC1(C)c2ccccc2Oc2cc(-c3ccc4c(c3)c3cc(C#N)ccc3n4-c3cccnc3)ccc21.
What is the InChIKey of 6-(9,9-dimethylxanthen-3-yl)-9-pyridin-3-ylcarbazole-3-carbonitrile?
The InChIKey is YMZHYFLSUBSOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3O/c1-33(2)27-7-3-4-8-31(27)37-32-18-23(10-12-28(32)33)22-11-14-30-26(17-22)25-16-21(19-34)9-13-29(25)36(30)24-6-5-15-35-20-24/h3-18,20H,1-2H3.
What are the key properties of 6-(9,9-dimethylxanthen-3-yl)-9-pyridin-3-ylcarbazole-3-carbonitrile?
6-(9,9-dimethylxanthen-3-yl)-9-pyridin-3-ylcarbazole-3-carbonitrile has a molecular weight of 477.57 g/mol, XLogP of 8.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-dimethylxanthen-3-yl)-9-pyridin-3-ylcarbazole-3-carbonitrile is sourced from PubChem (CID 121296753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).