6-[4-[4-(9,9-dimethylacridin-10-yl)-2-methylphenyl]-3-methylphenyl]-3-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-12,13-dicarbonitrile

C45H30FN5 — CID 145413450

IUPAC6-[4-[4-(9,9-dimethylacridin-10-yl)-2-methylphenyl]-3-methylphenyl]-3-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-12,13-dicarbonitrile
SMILESCc1cc(-c2ccc3c4c(cc(F)cc24)-c2nc(C#N)c(C#N)nc2-3)ccc1-c1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1C
InChIInChI=1S/C45H30FN5/c1-25-19-27(32-17-18-33-42-34(32)21-28(46)22-35(42)44-43(33)49-38(23-47)39(24-48)50-44)13-15-30(25)31-16-14-29(20-26(31)2)51-40-11-7-5-9-36(40)45(3,4)37-10-6-8-12-41(37)51/h5-22H,1-4H3
InChIKeyAJJZNSMTLQTRLT-UHFFFAOYSA-N
MW659.77 g/mol
LogP11.22
Rot. Bonds3

About 6-[4-[4-(9,9-dimethylacridin-10-yl)-2-methylphenyl]-3-methylphenyl]-3-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-12,13-dicarbonitrile

6-[4-[4-(9,9-dimethylacridin-10-yl)-2-methylphenyl]-3-methylphenyl]-3-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-12,13-dicarbonitrile (PubChem CID 145413450) has the molecular formula C45H30FN5 and a molecular weight of 659.77 g/mol. Its IUPAC name is 6-[4-[4-(9,9-dimethylacridin-10-yl)-2-methylphenyl]-3-methylphenyl]-3-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-12,13-dicarbonitrile.

Molecular Properties

Compound Name6-[4-[4-(9,9-dimethylacridin-10-yl)-2-methylphenyl]-3-methylphenyl]-3-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-12,13-dicarbonitrile
PubChem CID145413450
Molecular FormulaC45H30FN5
Molecular Weight659.77 g/mol
Exact Mass659.25
IUPAC Name6-[4-[4-(9,9-dimethylacridin-10-yl)-2-methylphenyl]-3-methylphenyl]-3-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-12,13-dicarbonitrile
SMILESCc1cc(-c2ccc3c4c(cc(F)cc24)-c2nc(C#N)c(C#N)nc2-3)ccc1-c1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1C
InChIInChI=1S/C45H30FN5/c1-25-19-27(32-17-18-33-42-34(32)21-28(46)22-35(42)44-43(33)49-38(23-47)39(24-48)50-44)13-15-30(25)31-16-14-29(20-26(31)2)51-40-11-7-5-9-36(40)45(3,4)37-10-6-8-12-41(37)51/h5-22H,1-4H3
InChIKeyAJJZNSMTLQTRLT-UHFFFAOYSA-N
XLogP11.22
TPSA76.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.77
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-[4-(9,9-dimethylacridin-10-yl)-2-methylphenyl]-3-methylphenyl]-3-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-12,13-dicarbonitrile with MolForge

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Related Compounds

2-(9,9-dimethylacridin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile
CID 145413810
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile
CID 122435842
4-[4-(9,9-dimethylacridin-10-yl)-2,6-dimethylphenyl]-2,6-diphenylpyridine-3,5-dicarbonitrile
CID 164801066
6,11-bis(9,9-dimethylacridin-10-yl)-3-fluorotriphenylene-2-carbonitrile
CID 121477980
9,9-dimethyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)acridine
CID 118472936
3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146542714
4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile
CID 155298681
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]pyridine-3,5-dicarbonitrile
CID 146653910
10-[8-[2-[8-(9,9-dimethylacridin-10-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9,9-dimethylacridine
CID 90352239
10-[4-[2,3-bis(3,4-difluorophenyl)-7-phenylpyrazino[2,3-b]pyrazin-6-yl]phenyl]-9,9-dimethylacridine
CID 129037633
6-[3-(9,9-dimethylacridin-10-yl)phenyl]pyridine-2-carbonitrile
CID 146543096

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(9,9-dimethylacridin-10-yl)-2-methylphenyl]-3-methylphenyl]-3-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-12,13-dicarbonitrile?
The IUPAC name of 6-[4-[4-(9,9-dimethylacridin-10-yl)-2-methylphenyl]-3-methylphenyl]-3-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-12,13-dicarbonitrile (CID 145413450) is 6-[4-[4-(9,9-dimethylacridin-10-yl)-2-methylphenyl]-3-methylphenyl]-3-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-12,13-dicarbonitrile.
What is the SMILES notation for 6-[4-[4-(9,9-dimethylacridin-10-yl)-2-methylphenyl]-3-methylphenyl]-3-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-12,13-dicarbonitrile?
The canonical SMILES for 6-[4-[4-(9,9-dimethylacridin-10-yl)-2-methylphenyl]-3-methylphenyl]-3-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-12,13-dicarbonitrile is Cc1cc(-c2ccc3c4c(cc(F)cc24)-c2nc(C#N)c(C#N)nc2-3)ccc1-c1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1C.
What is the InChIKey of 6-[4-[4-(9,9-dimethylacridin-10-yl)-2-methylphenyl]-3-methylphenyl]-3-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-12,13-dicarbonitrile?
The InChIKey is AJJZNSMTLQTRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30FN5/c1-25-19-27(32-17-18-33-42-34(32)21-28(46)22-35(42)44-43(33)49-38(23-47)39(24-48)50-44)13-15-30(25)31-16-14-29(20-26(31)2)51-40-11-7-5-9-36(40)45(3,4)37-10-6-8-12-41(37)51/h5-22H,1-4H3.
What are the key properties of 6-[4-[4-(9,9-dimethylacridin-10-yl)-2-methylphenyl]-3-methylphenyl]-3-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-12,13-dicarbonitrile?
6-[4-[4-(9,9-dimethylacridin-10-yl)-2-methylphenyl]-3-methylphenyl]-3-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-12,13-dicarbonitrile has a molecular weight of 659.77 g/mol, XLogP of 11.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(9,9-dimethylacridin-10-yl)-2-methylphenyl]-3-methylphenyl]-3-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-12,13-dicarbonitrile is sourced from PubChem (CID 145413450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).