14'-(9,9-dimethylacridin-10-yl)-9,9-dimethylspiro[anthracene-10,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene]-5',6'-dicarbonitrile

C47H37N3 — CID 139374823

IUPAC14'-(9,9-dimethylacridin-10-yl)-9,9-dimethylspiro[anthracene-10,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene]-5',6'-dicarbonitrile
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)C2(c4cc(C#N)c(C#N)cc4CC3)c3ccccc3C(C)(C)c3ccccc32)c2ccccc21
InChIInChI=1S/C47H37N3/c1-45(2)35-13-5-7-15-37(35)47(38-16-8-6-14-36(38)45)41-26-33(29-49)32(28-48)25-31(41)22-21-30-23-24-34(27-42(30)47)50-43-19-11-9-17-39(43)46(3,4)40-18-10-12-20-44(40)50/h5-20,23-27H,21-22H2,1-4H3
InChIKeyXFJRXBMUYGOXTF-UHFFFAOYSA-N
MW643.83 g/mol
LogP10.66
Rot. Bonds1

About 14'-(9,9-dimethylacridin-10-yl)-9,9-dimethylspiro[anthracene-10,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene]-5',6'-dicarbonitrile

14'-(9,9-dimethylacridin-10-yl)-9,9-dimethylspiro[anthracene-10,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene]-5',6'-dicarbonitrile (PubChem CID 139374823) has the molecular formula C47H37N3 and a molecular weight of 643.83 g/mol. Its IUPAC name is 14'-(9,9-dimethylacridin-10-yl)-9,9-dimethylspiro[anthracene-10,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene]-5',6'-dicarbonitrile.

Molecular Properties

Compound Name14'-(9,9-dimethylacridin-10-yl)-9,9-dimethylspiro[anthracene-10,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene]-5',6'-dicarbonitrile
PubChem CID139374823
Molecular FormulaC47H37N3
Molecular Weight643.83 g/mol
Exact Mass643.30
IUPAC Name14'-(9,9-dimethylacridin-10-yl)-9,9-dimethylspiro[anthracene-10,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene]-5',6'-dicarbonitrile
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)C2(c4cc(C#N)c(C#N)cc4CC3)c3ccccc3C(C)(C)c3ccccc32)c2ccccc21
InChIInChI=1S/C47H37N3/c1-45(2)35-13-5-7-15-37(35)47(38-16-8-6-14-36(38)45)41-26-33(29-49)32(28-48)25-31(41)22-21-30-23-24-34(27-42(30)47)50-43-19-11-9-17-39(43)46(3,4)40-18-10-12-20-44(40)50/h5-20,23-27H,21-22H2,1-4H3
InChIKeyXFJRXBMUYGOXTF-UHFFFAOYSA-N
XLogP10.66
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.83
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14'-(9,9-dimethylacridin-10-yl)-9,9-dimethylspiro[anthracene-10,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene]-5',6'-dicarbonitrile with MolForge

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Related Compounds

17-amino-26-(9,9-dimethylacridin-10-yl)-8,8-dimethylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(23),2,4,6,9,11,13,15,17,19,24,26-dodecaene-18-carbonitrile
CID 155474427
16-amino-25-(9,9-dimethylacridin-10-yl)pentacyclo[20.4.0.02,7.08,13.014,19]hexacosa-1(22),2,4,6,8,10,12,14,16,18,23,25-dodecaene-18-carbonitrile
CID 139374832
6,11-bis(9,9-dimethylacridin-10-yl)-3-fluorotriphenylene-2-carbonitrile
CID 121477980
4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile
CID 134579025
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile
CID 122435842
9,9-dimethyl-10-phenanthren-3-ylacridine
CID 155173536
2-(9,9-dimethylacridin-10-yl)benzene-1,3-dicarbonitrile
CID 145009819
2-[4-(9,9-dimethylacridin-10-yl)phenyl]pyridine-3,5-dicarbonitrile
CID 146653910
10,10-dimethyl-9H-anthracene;9,9-dimethyl-10-naphthalen-2-ylacridine
CID 164974789
4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile
CID 155298681
13-(9,9-dimethylacridin-10-yl)spiro[tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,9'-xanthene]-4,5-diamine
CID 139374815
10-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)phenothiazine
CID 146495406

Frequently Asked Questions

What is the IUPAC name of 14'-(9,9-dimethylacridin-10-yl)-9,9-dimethylspiro[anthracene-10,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene]-5',6'-dicarbonitrile?
The IUPAC name of 14'-(9,9-dimethylacridin-10-yl)-9,9-dimethylspiro[anthracene-10,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene]-5',6'-dicarbonitrile (CID 139374823) is 14'-(9,9-dimethylacridin-10-yl)-9,9-dimethylspiro[anthracene-10,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene]-5',6'-dicarbonitrile.
What is the SMILES notation for 14'-(9,9-dimethylacridin-10-yl)-9,9-dimethylspiro[anthracene-10,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene]-5',6'-dicarbonitrile?
The canonical SMILES for 14'-(9,9-dimethylacridin-10-yl)-9,9-dimethylspiro[anthracene-10,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene]-5',6'-dicarbonitrile is CC1(C)c2ccccc2N(c2ccc3c(c2)C2(c4cc(C#N)c(C#N)cc4CC3)c3ccccc3C(C)(C)c3ccccc32)c2ccccc21.
What is the InChIKey of 14'-(9,9-dimethylacridin-10-yl)-9,9-dimethylspiro[anthracene-10,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene]-5',6'-dicarbonitrile?
The InChIKey is XFJRXBMUYGOXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H37N3/c1-45(2)35-13-5-7-15-37(35)47(38-16-8-6-14-36(38)45)41-26-33(29-49)32(28-48)25-31(41)22-21-30-23-24-34(27-42(30)47)50-43-19-11-9-17-39(43)46(3,4)40-18-10-12-20-44(40)50/h5-20,23-27H,21-22H2,1-4H3.
What are the key properties of 14'-(9,9-dimethylacridin-10-yl)-9,9-dimethylspiro[anthracene-10,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene]-5',6'-dicarbonitrile?
14'-(9,9-dimethylacridin-10-yl)-9,9-dimethylspiro[anthracene-10,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene]-5',6'-dicarbonitrile has a molecular weight of 643.83 g/mol, XLogP of 10.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14'-(9,9-dimethylacridin-10-yl)-9,9-dimethylspiro[anthracene-10,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene]-5',6'-dicarbonitrile is sourced from PubChem (CID 139374823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).