6-(9,9-diphenylxanthen-3-yl)-9-quinolin-4-ylcarbazole-3-carbonitrile

C47H29N3O — CID 121296773

IUPAC6-(9,9-diphenylxanthen-3-yl)-9-quinolin-4-ylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)Oc3ccccc3C4(c3ccccc3)c3ccccc3)ccc1n2-c1ccnc2ccccc12
InChIInChI=1S/C47H29N3O/c48-30-31-19-23-42-37(27-31)38-28-32(21-24-43(38)50(42)44-25-26-49-41-17-9-7-15-36(41)44)33-20-22-40-46(29-33)51-45-18-10-8-16-39(45)47(40,34-11-3-1-4-12-34)35-13-5-2-6-14-35/h1-29H
InChIKeyXAGNCNMWVDWFSF-UHFFFAOYSA-N
MW651.77 g/mol
LogP11.36
Rot. Bonds4

About 6-(9,9-diphenylxanthen-3-yl)-9-quinolin-4-ylcarbazole-3-carbonitrile

6-(9,9-diphenylxanthen-3-yl)-9-quinolin-4-ylcarbazole-3-carbonitrile (PubChem CID 121296773) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 6-(9,9-diphenylxanthen-3-yl)-9-quinolin-4-ylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name6-(9,9-diphenylxanthen-3-yl)-9-quinolin-4-ylcarbazole-3-carbonitrile
PubChem CID121296773
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name6-(9,9-diphenylxanthen-3-yl)-9-quinolin-4-ylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)Oc3ccccc3C4(c3ccccc3)c3ccccc3)ccc1n2-c1ccnc2ccccc12
InChIInChI=1S/C47H29N3O/c48-30-31-19-23-42-37(27-31)38-28-32(21-24-43(38)50(42)44-25-26-49-41-17-9-7-15-36(41)44)33-20-22-40-46(29-33)51-45-18-10-8-16-39(45)47(40,34-11-3-1-4-12-34)35-13-5-2-6-14-35/h1-29H
InChIKeyXAGNCNMWVDWFSF-UHFFFAOYSA-N
XLogP11.36
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9,9-diphenylxanthen-3-yl)-9-naphthalen-1-ylcarbazole
CID 177298950
6-(9,9-dimethylxanthen-3-yl)-9-phenylcarbazole-3-carbonitrile
CID 121296752
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-[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
6-(9,9-dimethylxanthen-3-yl)-9-pyridin-3-ylcarbazole-3-carbonitrile
CID 121296753
4-[4-[4-[3-(9,9-diphenylxanthen-3-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 163567648
4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-3'-ylbenzonitrile
CID 135140303
9-[8'-(3-cyanocarbazol-9-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 146654407
9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-ylcarbazole-3,6-dicarbonitrile
CID 146655621
4-[4-[3-(9,9-diphenylxanthen-3-yl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]benzonitrile
CID 166031208
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
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

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-diphenylxanthen-3-yl)-9-quinolin-4-ylcarbazole-3-carbonitrile?
The IUPAC name of 6-(9,9-diphenylxanthen-3-yl)-9-quinolin-4-ylcarbazole-3-carbonitrile (CID 121296773) is 6-(9,9-diphenylxanthen-3-yl)-9-quinolin-4-ylcarbazole-3-carbonitrile.
What is the SMILES notation for 6-(9,9-diphenylxanthen-3-yl)-9-quinolin-4-ylcarbazole-3-carbonitrile?
The canonical SMILES for 6-(9,9-diphenylxanthen-3-yl)-9-quinolin-4-ylcarbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)Oc3ccccc3C4(c3ccccc3)c3ccccc3)ccc1n2-c1ccnc2ccccc12.
What is the InChIKey of 6-(9,9-diphenylxanthen-3-yl)-9-quinolin-4-ylcarbazole-3-carbonitrile?
The InChIKey is XAGNCNMWVDWFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c48-30-31-19-23-42-37(27-31)38-28-32(21-24-43(38)50(42)44-25-26-49-41-17-9-7-15-36(41)44)33-20-22-40-46(29-33)51-45-18-10-8-16-39(45)47(40,34-11-3-1-4-12-34)35-13-5-2-6-14-35/h1-29H.
What are the key properties of 6-(9,9-diphenylxanthen-3-yl)-9-quinolin-4-ylcarbazole-3-carbonitrile?
6-(9,9-diphenylxanthen-3-yl)-9-quinolin-4-ylcarbazole-3-carbonitrile has a molecular weight of 651.77 g/mol, XLogP of 11.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-diphenylxanthen-3-yl)-9-quinolin-4-ylcarbazole-3-carbonitrile is sourced from PubChem (CID 121296773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).