6-[3-[7-[3-(1,3-benzothiazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzothiazole;6-[3-[7-[3-(1,3-benzoxazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzoxazole;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole;1-methyl-6-[3-[7-[3-(3-methylbenzimidazol-5-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole

C180H116N12O2S2 — CID 159603782

IUPAC6-[3-[7-[3-(1,3-benzothiazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzothiazole;6-[3-[7-[3-(1,3-benzoxazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzoxazole;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole;1-methyl-6-[3-[7-[3-(3-methylbenzimidazol-5-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole
SMILESCn1c(-c2cccc(-c3ccc4c5ccc(-c6cccc(-c7nc8ccccc8n7C)c6)cc5c5ccccc5c4c3)c2)nc2ccccc21.Cn1cnc2ccc(-c3cccc(-c4ccc5c6ccc(-c7cccc(-c8ccc9ncn(C)c9c8)c7)cc6c6ccccc6c5c4)c3)cc21.c1cc(-c2ccc3ncoc3c2)cc(-c2ccc3c4ccc(-c5cccc(-c6ccc7ncoc7c6)c5)cc4c4ccccc4c3c2)c1.c1cc(-c2ccc3ncsc3c2)cc(-c2ccc3c4ccc(-c5cccc(-c6ccc7ncsc7c6)c5)cc4c4ccccc4c3c2)c1
InChIInChI=1S/2C46H32N4.C44H26N2O2.C44H26N2S2/c1-49-43-19-7-5-17-41(43)47-45(49)33-13-9-11-29(25-33)31-21-23-37-38-24-22-32(28-40(38)36-16-4-3-15-35(36)39(37)27-31)30-12-10-14-34(26-30)46-48-42-18-6-8-20-44(42)50(46)2;1-49-27-47-43-19-15-35(25-45(43)49)31-9-5-7-29(21-31)33-13-17-39-40-18-14-34(24-42(40)38-12-4-3-11-37(38)41(39)23-33)30-8-6-10-32(22-30)36-16-20-44-46(26-36)50(2)28-48-44;2*1-2-10-36-35(9-1)39-21-31(27-5-3-7-29(19-27)33-13-17-41-43(23-33)47-25-45-41)11-15-37(39)38-16-12-32(22-40(36)38)28-6-4-8-30(20-28)34-14-18-42-44(24-34)48-26-46-42/h2*3-28H,1-2H3;2*1-26H
InChIKeyMLUWVNMMTNDKBH-UHFFFAOYSA-N
MW2543.12 g/mol
LogP48.31
Rot. Bonds16

About 6-[3-[7-[3-(1,3-benzothiazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzothiazole;6-[3-[7-[3-(1,3-benzoxazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzoxazole;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole;1-methyl-6-[3-[7-[3-(3-methylbenzimidazol-5-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole

6-[3-[7-[3-(1,3-benzothiazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzothiazole;6-[3-[7-[3-(1,3-benzoxazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzoxazole;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole;1-methyl-6-[3-[7-[3-(3-methylbenzimidazol-5-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole (PubChem CID 159603782) has the molecular formula C180H116N12O2S2 and a molecular weight of 2543.12 g/mol. Its IUPAC name is 6-[3-[7-[3-(1,3-benzothiazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzothiazole;6-[3-[7-[3-(1,3-benzoxazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzoxazole;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole;1-methyl-6-[3-[7-[3-(3-methylbenzimidazol-5-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name6-[3-[7-[3-(1,3-benzothiazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzothiazole;6-[3-[7-[3-(1,3-benzoxazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzoxazole;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole;1-methyl-6-[3-[7-[3-(3-methylbenzimidazol-5-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole
PubChem CID159603782
Molecular FormulaC180H116N12O2S2
Molecular Weight2543.12 g/mol
Exact Mass2540.88
IUPAC Name6-[3-[7-[3-(1,3-benzothiazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzothiazole;6-[3-[7-[3-(1,3-benzoxazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzoxazole;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole;1-methyl-6-[3-[7-[3-(3-methylbenzimidazol-5-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole
SMILESCn1c(-c2cccc(-c3ccc4c5ccc(-c6cccc(-c7nc8ccccc8n7C)c6)cc5c5ccccc5c4c3)c2)nc2ccccc21.Cn1cnc2ccc(-c3cccc(-c4ccc5c6ccc(-c7cccc(-c8ccc9ncn(C)c9c8)c7)cc6c6ccccc6c5c4)c3)cc21.c1cc(-c2ccc3ncoc3c2)cc(-c2ccc3c4ccc(-c5cccc(-c6ccc7ncoc7c6)c5)cc4c4ccccc4c3c2)c1.c1cc(-c2ccc3ncsc3c2)cc(-c2ccc3c4ccc(-c5cccc(-c6ccc7ncsc7c6)c5)cc4c4ccccc4c3c2)c1
InChIInChI=1S/2C46H32N4.C44H26N2O2.C44H26N2S2/c1-49-43-19-7-5-17-41(43)47-45(49)33-13-9-11-29(25-33)31-21-23-37-38-24-22-32(28-40(38)36-16-4-3-15-35(36)39(37)27-31)30-12-10-14-34(26-30)46-48-42-18-6-8-20-44(42)50(46)2;1-49-27-47-43-19-15-35(25-45(43)49)31-9-5-7-29(21-31)33-13-17-39-40-18-14-34(24-42(40)38-12-4-3-11-37(38)41(39)23-33)30-8-6-10-32(22-30)36-16-20-44-46(26-36)50(2)28-48-44;2*1-2-10-36-35(9-1)39-21-31(27-5-3-7-29(19-27)33-13-17-41-43(23-33)47-25-45-41)11-15-37(39)38-16-12-32(22-40(36)38)28-6-4-8-30(20-28)34-14-18-42-44(24-34)48-26-46-42/h2*3-28H,1-2H3;2*1-26H
InChIKeyMLUWVNMMTNDKBH-UHFFFAOYSA-N
XLogP48.31
TPSA149.12 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002543.12
LogP ≤ 548.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-[3-[7-[3-(1,3-benzothiazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzothiazole;6-[3-[7-[3-(1,3-benzoxazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzoxazole;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole;1-methyl-6-[3-[7-[3-(3-methylbenzimidazol-5-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole with MolForge

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Related Compounds

1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole
CID 118490686
1,3-benzothiazole;1,3-benzoxazole;tetrakis(2,2-dimethylpropane);1H-isoindole;1-methylbenzimidazole
CID 162007786
1-methyl-6-phenylbenzimidazole
CID 135028518
2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole
CID 142329290
1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole
CID 175716577
2-(4-benzo[a]anthracen-7-ylphenyl)-1-methylbenzimidazole
CID 88544840
1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole
CID 118055725
2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 142328473
1-methyl-2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylphenyl)benzimidazole
CID 137492695
2-(4-iodophenyl)-1-methylbenzimidazole
CID 23094064
2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole
CID 153285674
2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285337

Frequently Asked Questions

What is the IUPAC name of 6-[3-[7-[3-(1,3-benzothiazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzothiazole;6-[3-[7-[3-(1,3-benzoxazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzoxazole;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole;1-methyl-6-[3-[7-[3-(3-methylbenzimidazol-5-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole?
The IUPAC name of 6-[3-[7-[3-(1,3-benzothiazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzothiazole;6-[3-[7-[3-(1,3-benzoxazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzoxazole;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole;1-methyl-6-[3-[7-[3-(3-methylbenzimidazol-5-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole (CID 159603782) is 6-[3-[7-[3-(1,3-benzothiazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzothiazole;6-[3-[7-[3-(1,3-benzoxazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzoxazole;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole;1-methyl-6-[3-[7-[3-(3-methylbenzimidazol-5-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole.
What is the SMILES notation for 6-[3-[7-[3-(1,3-benzothiazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzothiazole;6-[3-[7-[3-(1,3-benzoxazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzoxazole;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole;1-methyl-6-[3-[7-[3-(3-methylbenzimidazol-5-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole?
The canonical SMILES for 6-[3-[7-[3-(1,3-benzothiazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzothiazole;6-[3-[7-[3-(1,3-benzoxazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzoxazole;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole;1-methyl-6-[3-[7-[3-(3-methylbenzimidazol-5-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole is Cn1c(-c2cccc(-c3ccc4c5ccc(-c6cccc(-c7nc8ccccc8n7C)c6)cc5c5ccccc5c4c3)c2)nc2ccccc21.Cn1cnc2ccc(-c3cccc(-c4ccc5c6ccc(-c7cccc(-c8ccc9ncn(C)c9c8)c7)cc6c6ccccc6c5c4)c3)cc21.c1cc(-c2ccc3ncoc3c2)cc(-c2ccc3c4ccc(-c5cccc(-c6ccc7ncoc7c6)c5)cc4c4ccccc4c3c2)c1.c1cc(-c2ccc3ncsc3c2)cc(-c2ccc3c4ccc(-c5cccc(-c6ccc7ncsc7c6)c5)cc4c4ccccc4c3c2)c1.
What is the InChIKey of 6-[3-[7-[3-(1,3-benzothiazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzothiazole;6-[3-[7-[3-(1,3-benzoxazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzoxazole;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole;1-methyl-6-[3-[7-[3-(3-methylbenzimidazol-5-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole?
The InChIKey is MLUWVNMMTNDKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H32N4.C44H26N2O2.C44H26N2S2/c1-49-43-19-7-5-17-41(43)47-45(49)33-13-9-11-29(25-33)31-21-23-37-38-24-22-32(28-40(38)36-16-4-3-15-35(36)39(37)27-31)30-12-10-14-34(26-30)46-48-42-18-6-8-20-44(42)50(46)2;1-49-27-47-43-19-15-35(25-45(43)49)31-9-5-7-29(21-31)33-13-17-39-40-18-14-34(24-42(40)38-12-4-3-11-37(38)41(39)23-33)30-8-6-10-32(22-30)36-16-20-44-46(26-36)50(2)28-48-44;2*1-2-10-36-35(9-1)39-21-31(27-5-3-7-29(19-27)33-13-17-41-43(23-33)47-25-45-41)11-15-37(39)38-16-12-32(22-40(36)38)28-6-4-8-30(20-28)34-14-18-42-44(24-34)48-26-46-42/h2*3-28H,1-2H3;2*1-26H.
What are the key properties of 6-[3-[7-[3-(1,3-benzothiazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzothiazole;6-[3-[7-[3-(1,3-benzoxazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzoxazole;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole;1-methyl-6-[3-[7-[3-(3-methylbenzimidazol-5-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole?
6-[3-[7-[3-(1,3-benzothiazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzothiazole;6-[3-[7-[3-(1,3-benzoxazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzoxazole;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole;1-methyl-6-[3-[7-[3-(3-methylbenzimidazol-5-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole has a molecular weight of 2543.12 g/mol, XLogP of 48.31, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[7-[3-(1,3-benzothiazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzothiazole;6-[3-[7-[3-(1,3-benzoxazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzoxazole;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole;1-methyl-6-[3-[7-[3-(3-methylbenzimidazol-5-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole is sourced from PubChem (CID 159603782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).