7-[3-([1,4]benzodithiino[3,2-b]quinoxalin-3-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline

C149H90N18S8 — CID 160571713

IUPAC7-[3-([1,4]benzodithiino[3,2-b]quinoxalin-3-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3cccc(-c4ccc5c(c4)Sc4nc6ccccc6nc4S5)c3)cc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc5c(c4)Sc4nc6ccccc6nc4S5)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)Sc4nc6ccccc6nc4S5)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)Sc4nc6ccccc6nc4S5)c3)n2)cc1
InChIInChI=1S/C43H25N5S2.C36H23N3S2.2C35H21N5S2/c1-3-13-26(14-4-1)39-46-40(27-15-5-2-6-16-27)48-41(47-39)38-31-19-9-7-17-29(31)37(30-18-8-10-20-32(30)38)28-23-24-35-36(25-28)50-43-42(49-35)44-33-21-11-12-22-34(33)45-43;1-36(2)28-16-21(20-37)10-13-26(28)27-14-11-24(18-29(27)36)22-6-5-7-23(17-22)25-12-15-32-33(19-25)41-35-34(40-32)38-30-8-3-4-9-31(30)39-35;1-3-10-22(11-4-1)31-38-32(23-12-5-2-6-13-23)40-33(39-31)26-15-9-14-24(20-26)25-18-19-29-30(21-25)42-35-34(41-29)36-27-16-7-8-17-28(27)37-35;1-3-9-23(10-4-1)31-38-32(24-11-5-2-6-12-24)40-33(39-31)25-17-15-22(16-18-25)26-19-20-29-30(21-26)42-35-34(41-29)36-27-13-7-8-14-28(27)37-35/h1-25H;3-19H,1-2H3;2*1-21H
InChIKeyRAQCTQAOVLZNST-UHFFFAOYSA-N
MW2389.02 g/mol
LogP39.36
Rot. Bonds14

About 7-[3-([1,4]benzodithiino[3,2-b]quinoxalin-3-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline

7-[3-([1,4]benzodithiino[3,2-b]quinoxalin-3-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline (PubChem CID 160571713) has the molecular formula C149H90N18S8 and a molecular weight of 2389.02 g/mol. Its IUPAC name is 7-[3-([1,4]benzodithiino[3,2-b]quinoxalin-3-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline.

Molecular Properties

Compound Name7-[3-([1,4]benzodithiino[3,2-b]quinoxalin-3-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline
PubChem CID160571713
Molecular FormulaC149H90N18S8
Molecular Weight2389.02 g/mol
Exact Mass2386.54
IUPAC Name7-[3-([1,4]benzodithiino[3,2-b]quinoxalin-3-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3cccc(-c4ccc5c(c4)Sc4nc6ccccc6nc4S5)c3)cc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc5c(c4)Sc4nc6ccccc6nc4S5)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)Sc4nc6ccccc6nc4S5)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)Sc4nc6ccccc6nc4S5)c3)n2)cc1
InChIInChI=1S/C43H25N5S2.C36H23N3S2.2C35H21N5S2/c1-3-13-26(14-4-1)39-46-40(27-15-5-2-6-16-27)48-41(47-39)38-31-19-9-7-17-29(31)37(30-18-8-10-20-32(30)38)28-23-24-35-36(25-28)50-43-42(49-35)44-33-21-11-12-22-34(33)45-43;1-36(2)28-16-21(20-37)10-13-26(28)27-14-11-24(18-29(27)36)22-6-5-7-23(17-22)25-12-15-32-33(19-25)41-35-34(40-32)38-30-8-3-4-9-31(30)39-35;1-3-10-22(11-4-1)31-38-32(23-12-5-2-6-13-23)40-33(39-31)26-15-9-14-24(20-26)25-18-19-29-30(21-25)42-35-34(41-29)36-27-16-7-8-17-28(27)37-35;1-3-9-23(10-4-1)31-38-32(24-11-5-2-6-12-24)40-33(39-31)25-17-15-22(16-18-25)26-19-20-29-30(21-26)42-35-34(41-29)36-27-13-7-8-14-28(27)37-35/h1-25H;3-19H,1-2H3;2*1-21H
InChIKeyRAQCTQAOVLZNST-UHFFFAOYSA-N
XLogP39.36
TPSA242.92 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds14
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002389.02
LogP ≤ 539.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 7-[3-([1,4]benzodithiino[3,2-b]quinoxalin-3-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline with MolForge

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Related Compounds

9,9-dimethyl-7-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]fluorene-2-carbonitrile
CID 162775748
6-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 162776047
9,9-dimethyl-6-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluorene-2-carbonitrile
CID 162775792
9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(4-phenylquinazolin-2-yl)phenyl]fluorene-2-carbonitrile
CID 171421810
9,9-dimethyl-7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-pyridin-3-ylphenyl]fluorene-2-carbonitrile
CID 171421888
9,9-dimethyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-4-carbonitrile;9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-2-carbonitrile;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 163578084
9,9-dimethyl-7-(10-phenanthridin-6-ylanthracen-9-yl)fluorene-2-carbonitrile
CID 90194761
7-[4-[1-[4-[4-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-quinolin-4-ylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 138749871
4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 163486179
9,9-dimethyl-6-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluorene-2-carbonitrile
CID 166796504
7-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-2-carbonitrile;methane
CID 160828918
9,9-dimethyl-7-[3-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-5-pyridin-3-ylphenyl]fluorene-2-carbonitrile
CID 171421672

Frequently Asked Questions

What is the IUPAC name of 7-[3-([1,4]benzodithiino[3,2-b]quinoxalin-3-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline?
The IUPAC name of 7-[3-([1,4]benzodithiino[3,2-b]quinoxalin-3-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline (CID 160571713) is 7-[3-([1,4]benzodithiino[3,2-b]quinoxalin-3-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline.
What is the SMILES notation for 7-[3-([1,4]benzodithiino[3,2-b]quinoxalin-3-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline?
The canonical SMILES for 7-[3-([1,4]benzodithiino[3,2-b]quinoxalin-3-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline is CC1(C)c2cc(C#N)ccc2-c2ccc(-c3cccc(-c4ccc5c(c4)Sc4nc6ccccc6nc4S5)c3)cc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc5c(c4)Sc4nc6ccccc6nc4S5)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)Sc4nc6ccccc6nc4S5)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)Sc4nc6ccccc6nc4S5)c3)n2)cc1.
What is the InChIKey of 7-[3-([1,4]benzodithiino[3,2-b]quinoxalin-3-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline?
The InChIKey is RAQCTQAOVLZNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N5S2.C36H23N3S2.2C35H21N5S2/c1-3-13-26(14-4-1)39-46-40(27-15-5-2-6-16-27)48-41(47-39)38-31-19-9-7-17-29(31)37(30-18-8-10-20-32(30)38)28-23-24-35-36(25-28)50-43-42(49-35)44-33-21-11-12-22-34(33)45-43;1-36(2)28-16-21(20-37)10-13-26(28)27-14-11-24(18-29(27)36)22-6-5-7-23(17-22)25-12-15-32-33(19-25)41-35-34(40-32)38-30-8-3-4-9-31(30)39-35;1-3-10-22(11-4-1)31-38-32(23-12-5-2-6-13-23)40-33(39-31)26-15-9-14-24(20-26)25-18-19-29-30(21-25)42-35-34(41-29)36-27-16-7-8-17-28(27)37-35;1-3-9-23(10-4-1)31-38-32(24-11-5-2-6-12-24)40-33(39-31)25-17-15-22(16-18-25)26-19-20-29-30(21-26)42-35-34(41-29)36-27-13-7-8-14-28(27)37-35/h1-25H;3-19H,1-2H3;2*1-21H.
What are the key properties of 7-[3-([1,4]benzodithiino[3,2-b]quinoxalin-3-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline?
7-[3-([1,4]benzodithiino[3,2-b]quinoxalin-3-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline has a molecular weight of 2389.02 g/mol, XLogP of 39.36, 14 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-([1,4]benzodithiino[3,2-b]quinoxalin-3-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline is sourced from PubChem (CID 160571713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).