6-[10-(2,6-dimethylphenyl)-8-phenylpyrido[4,3-b]quinoxalin-5-yl]-1,8-dimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-3,4,5-tricarbonitrile

C41H32N6 — CID 122609940

IUPAC6-[10-(2,6-dimethylphenyl)-8-phenylpyrido[4,3-b]quinoxalin-5-yl]-1,8-dimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-3,4,5-tricarbonitrile
SMILESCc1cccc(C)c1N1c2cnccc2N(c2c(C#N)c(C#N)c(C#N)c3c2C2(C)CCC3(C)C2)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C41H32N6/c1-25-9-8-10-26(2)38(25)47-34-19-28(27-11-6-5-7-12-27)13-14-32(34)46(33-15-18-45-23-35(33)47)39-31(22-44)29(20-42)30(21-43)36-37(39)41(4)17-16-40(36,3)24-41/h5-15,18-19,23H,16-17,24H2,1-4H3
InChIKeyRTSHYACYZABIQX-UHFFFAOYSA-N
MW608.75 g/mol
LogP9.95
Rot. Bonds3

About 6-[10-(2,6-dimethylphenyl)-8-phenylpyrido[4,3-b]quinoxalin-5-yl]-1,8-dimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-3,4,5-tricarbonitrile

6-[10-(2,6-dimethylphenyl)-8-phenylpyrido[4,3-b]quinoxalin-5-yl]-1,8-dimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-3,4,5-tricarbonitrile (PubChem CID 122609940) has the molecular formula C41H32N6 and a molecular weight of 608.75 g/mol. Its IUPAC name is 6-[10-(2,6-dimethylphenyl)-8-phenylpyrido[4,3-b]quinoxalin-5-yl]-1,8-dimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-3,4,5-tricarbonitrile.

Molecular Properties

Compound Name6-[10-(2,6-dimethylphenyl)-8-phenylpyrido[4,3-b]quinoxalin-5-yl]-1,8-dimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-3,4,5-tricarbonitrile
PubChem CID122609940
Molecular FormulaC41H32N6
Molecular Weight608.75 g/mol
Exact Mass608.27
IUPAC Name6-[10-(2,6-dimethylphenyl)-8-phenylpyrido[4,3-b]quinoxalin-5-yl]-1,8-dimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-3,4,5-tricarbonitrile
SMILESCc1cccc(C)c1N1c2cnccc2N(c2c(C#N)c(C#N)c(C#N)c3c2C2(C)CCC3(C)C2)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C41H32N6/c1-25-9-8-10-26(2)38(25)47-34-19-28(27-11-6-5-7-12-27)13-14-32(34)46(33-15-18-45-23-35(33)47)39-31(22-44)29(20-42)30(21-43)36-37(39)41(4)17-16-40(36,3)24-41/h5-15,18-19,23H,16-17,24H2,1-4H3
InChIKeyRTSHYACYZABIQX-UHFFFAOYSA-N
XLogP9.95
TPSA90.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.75
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[10-(2,6-dimethylphenyl)-8-phenylpyrido[4,3-b]quinoxalin-5-yl]-1,8-dimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-3,4,5-tricarbonitrile with MolForge

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Related Compounds

6,7-bis(3,7-diphenylphenoxazin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4,5-dicarbonitrile
CID 122609903
5,6,7-tris(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile
CID 122607612
6,7-bis(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5-dicarbonitrile
CID 122609902
1,1,3,3-tetramethyl-5,6-bis(6-phenylpyrido[3,4-b]indol-9-yl)-2-benzofuran-4,7-dicarbonitrile
CID 122607642
2-methyl-6-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]benzonitrile
CID 107802244
4-benzoyl-6-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-(3-phenylcarbazol-9-yl)-2H-indene-5-carbonitrile
CID 122609894
7-bis(2,6-dimethylphenyl)boranyl-4,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetramethyl-2H-indene-5-carbonitrile
CID 123923749
4,6-bis(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetrafluoro-7-isocyano-2,2-dimethylindene-5-carbonitrile
CID 140745744
5,7-bis(3,7-diphenylphenoxazin-10-yl)-6-fluoro-1,1,2,3,3-pentamethylisoindole-4-carbonitrile
CID 122609789
8,8,14,14-tetramethyl-5,17-diphenyl-11-[4-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)phenyl]phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 90330364
2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile
CID 166785160
5,10-bis(2,6-dimethylphenyl)-2-[4-(2-phenyl-4-pyridinyl)phenyl]benzo[b][1,4]benzazaborinine
CID 147840490

Frequently Asked Questions

What is the IUPAC name of 6-[10-(2,6-dimethylphenyl)-8-phenylpyrido[4,3-b]quinoxalin-5-yl]-1,8-dimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-3,4,5-tricarbonitrile?
The IUPAC name of 6-[10-(2,6-dimethylphenyl)-8-phenylpyrido[4,3-b]quinoxalin-5-yl]-1,8-dimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-3,4,5-tricarbonitrile (CID 122609940) is 6-[10-(2,6-dimethylphenyl)-8-phenylpyrido[4,3-b]quinoxalin-5-yl]-1,8-dimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-3,4,5-tricarbonitrile.
What is the SMILES notation for 6-[10-(2,6-dimethylphenyl)-8-phenylpyrido[4,3-b]quinoxalin-5-yl]-1,8-dimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-3,4,5-tricarbonitrile?
The canonical SMILES for 6-[10-(2,6-dimethylphenyl)-8-phenylpyrido[4,3-b]quinoxalin-5-yl]-1,8-dimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-3,4,5-tricarbonitrile is Cc1cccc(C)c1N1c2cnccc2N(c2c(C#N)c(C#N)c(C#N)c3c2C2(C)CCC3(C)C2)c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 6-[10-(2,6-dimethylphenyl)-8-phenylpyrido[4,3-b]quinoxalin-5-yl]-1,8-dimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-3,4,5-tricarbonitrile?
The InChIKey is RTSHYACYZABIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N6/c1-25-9-8-10-26(2)38(25)47-34-19-28(27-11-6-5-7-12-27)13-14-32(34)46(33-15-18-45-23-35(33)47)39-31(22-44)29(20-42)30(21-43)36-37(39)41(4)17-16-40(36,3)24-41/h5-15,18-19,23H,16-17,24H2,1-4H3.
What are the key properties of 6-[10-(2,6-dimethylphenyl)-8-phenylpyrido[4,3-b]quinoxalin-5-yl]-1,8-dimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-3,4,5-tricarbonitrile?
6-[10-(2,6-dimethylphenyl)-8-phenylpyrido[4,3-b]quinoxalin-5-yl]-1,8-dimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-3,4,5-tricarbonitrile has a molecular weight of 608.75 g/mol, XLogP of 9.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(2,6-dimethylphenyl)-8-phenylpyrido[4,3-b]quinoxalin-5-yl]-1,8-dimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-3,4,5-tricarbonitrile is sourced from PubChem (CID 122609940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).