6-(9,9-dimethylxanthen-3-yl)-9-phenylcarbazole-3-carbonitrile

C34H24N2O — CID 121296752

IUPAC6-(9,9-dimethylxanthen-3-yl)-9-phenylcarbazole-3-carbonitrile
SMILESCC1(C)c2ccccc2Oc2cc(-c3ccc4c(c3)c3cc(C#N)ccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C34H24N2O/c1-34(2)28-10-6-7-11-32(28)37-33-20-24(13-15-29(33)34)23-14-17-31-27(19-23)26-18-22(21-35)12-16-30(26)36(31)25-8-4-3-5-9-25/h3-20H,1-2H3
InChIKeyHXEAZOKEIJZEFR-UHFFFAOYSA-N
MW476.58 g/mol
LogP8.75
Rot. Bonds2

About 6-(9,9-dimethylxanthen-3-yl)-9-phenylcarbazole-3-carbonitrile

6-(9,9-dimethylxanthen-3-yl)-9-phenylcarbazole-3-carbonitrile (PubChem CID 121296752) has the molecular formula C34H24N2O and a molecular weight of 476.58 g/mol. Its IUPAC name is 6-(9,9-dimethylxanthen-3-yl)-9-phenylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name6-(9,9-dimethylxanthen-3-yl)-9-phenylcarbazole-3-carbonitrile
PubChem CID121296752
Molecular FormulaC34H24N2O
Molecular Weight476.58 g/mol
Exact Mass476.19
IUPAC Name6-(9,9-dimethylxanthen-3-yl)-9-phenylcarbazole-3-carbonitrile
SMILESCC1(C)c2ccccc2Oc2cc(-c3ccc4c(c3)c3cc(C#N)ccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C34H24N2O/c1-34(2)28-10-6-7-11-32(28)37-33-20-24(13-15-29(33)34)23-14-17-31-27(19-23)26-18-22(21-35)12-16-30(26)36(31)25-8-4-3-5-9-25/h3-20H,1-2H3
InChIKeyHXEAZOKEIJZEFR-UHFFFAOYSA-N
XLogP8.75
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(9,9-dimethylxanthen-3-yl)-9-pyridin-3-ylcarbazole-3-carbonitrile
CID 121296753
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
3-[3-(9,9-dimethylxanthen-2-yl)phenyl]-9-phenylcarbazole
CID 177126786
8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile
CID 135136147
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
6-(9,9-diphenylxanthen-3-yl)-9-quinolin-4-ylcarbazole-3-carbonitrile
CID 121296773
3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole
CID 70935948
4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 118449201
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
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
4-[N-[6-(4-cyano-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]anilino)-9-phenylcarbazol-3-yl]-4-(9,9-dimethylfluoren-2-yl)anilino]benzonitrile
CID 59344006

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylxanthen-3-yl)-9-phenylcarbazole-3-carbonitrile?
The IUPAC name of 6-(9,9-dimethylxanthen-3-yl)-9-phenylcarbazole-3-carbonitrile (CID 121296752) is 6-(9,9-dimethylxanthen-3-yl)-9-phenylcarbazole-3-carbonitrile.
What is the SMILES notation for 6-(9,9-dimethylxanthen-3-yl)-9-phenylcarbazole-3-carbonitrile?
The canonical SMILES for 6-(9,9-dimethylxanthen-3-yl)-9-phenylcarbazole-3-carbonitrile is CC1(C)c2ccccc2Oc2cc(-c3ccc4c(c3)c3cc(C#N)ccc3n4-c3ccccc3)ccc21.
What is the InChIKey of 6-(9,9-dimethylxanthen-3-yl)-9-phenylcarbazole-3-carbonitrile?
The InChIKey is HXEAZOKEIJZEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2O/c1-34(2)28-10-6-7-11-32(28)37-33-20-24(13-15-29(33)34)23-14-17-31-27(19-23)26-18-22(21-35)12-16-30(26)36(31)25-8-4-3-5-9-25/h3-20H,1-2H3.
What are the key properties of 6-(9,9-dimethylxanthen-3-yl)-9-phenylcarbazole-3-carbonitrile?
6-(9,9-dimethylxanthen-3-yl)-9-phenylcarbazole-3-carbonitrile has a molecular weight of 476.58 g/mol, XLogP of 8.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-dimethylxanthen-3-yl)-9-phenylcarbazole-3-carbonitrile is sourced from PubChem (CID 121296752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).