6-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzothiazole

C142H88N14S3 — CID 162265367

IUPAC6-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzothiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)sc5c4)c(-c4cc5ccccc5c5ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)sc5c4)c(-c4cc5ccccc5c5ncccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)sc5c4)c(-c4nc5ccccc5c5ccccc45)c3)n2)cc1
InChIInChI=1S/C48H30N4S.2C47H29N5S/c1-4-14-31(15-5-1)45-50-46(32-16-6-2-7-17-32)52-47(51-45)36-24-26-38(35-25-27-43-44(30-35)53-48(49-43)33-18-8-3-9-19-33)41(29-36)42-28-34-20-10-11-21-37(34)39-22-12-13-23-40(39)42;1-4-14-30(15-5-1)44-50-45(31-16-6-2-7-17-31)52-46(51-44)34-24-26-35(33-25-27-41-42(29-33)53-47(49-41)32-18-8-3-9-19-32)39(28-34)43-38-22-11-10-20-36(38)37-21-12-13-23-40(37)48-43;1-4-13-30(14-5-1)44-50-45(31-15-6-2-7-16-31)52-46(51-44)35-22-24-36(34-23-25-41-42(29-34)53-47(49-41)32-17-8-3-9-18-32)39(28-35)40-27-33-19-10-11-20-37(33)43-38(40)21-12-26-48-43/h1-30H;2*1-29H
InChIKeyZZVHZVUQLGQLBU-UHFFFAOYSA-N
MW2086.56 g/mol
LogP37.16
Rot. Bonds18

About 6-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzothiazole

6-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzothiazole (PubChem CID 162265367) has the molecular formula C142H88N14S3 and a molecular weight of 2086.56 g/mol. Its IUPAC name is 6-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzothiazole
PubChem CID162265367
Molecular FormulaC142H88N14S3
Molecular Weight2086.56 g/mol
Exact Mass2084.65
IUPAC Name6-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzothiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)sc5c4)c(-c4cc5ccccc5c5ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)sc5c4)c(-c4cc5ccccc5c5ncccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)sc5c4)c(-c4nc5ccccc5c5ccccc45)c3)n2)cc1
InChIInChI=1S/C48H30N4S.2C47H29N5S/c1-4-14-31(15-5-1)45-50-46(32-16-6-2-7-17-32)52-47(51-45)36-24-26-38(35-25-27-43-44(30-35)53-48(49-43)33-18-8-3-9-19-33)41(29-36)42-28-34-20-10-11-21-37(34)39-22-12-13-23-40(39)42;1-4-14-30(15-5-1)44-50-45(31-16-6-2-7-17-31)52-46(51-44)34-24-26-35(33-25-27-41-42(29-33)53-47(49-41)32-18-8-3-9-19-32)39(28-34)43-38-22-11-10-20-36(38)37-21-12-13-23-40(37)48-43;1-4-13-30(14-5-1)44-50-45(31-15-6-2-7-16-31)52-46(51-44)35-22-24-36(34-23-25-41-42(29-34)53-47(49-41)32-17-8-3-9-18-32)39(28-35)40-27-33-19-10-11-20-37(33)43-38(40)21-12-26-48-43/h1-30H;2*1-29H
InChIKeyZZVHZVUQLGQLBU-UHFFFAOYSA-N
XLogP37.16
TPSA180.46 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002086.56
LogP ≤ 537.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 6-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzothiazole with MolForge

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Related Compounds

6-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole
CID 148780354
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzothiazole
CID 153048382
2-(3-phenanthren-9-yl-4-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 175324946
5-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;5-[2-(2,6-dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole
CID 158690766
6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-1,3-benzothiazole
CID 153310078
2-[3-(1,10-phenanthrolin-5-yl)-5-(10-phenylanthracen-9-yl)phenyl]-1,3-benzothiazole
CID 58480026
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole
CID 147367577
[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]phenyl]-triphenylsilane
CID 156690632
4-[3-benzo[h]quinolin-5-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzoxazole
CID 159149411
2-[4-(1,10-phenanthrolin-3-yl)-3-quinolin-3-ylphenyl]-1,3-benzothiazole
CID 171459783
6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[h]quinoline
CID 152931593
6-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[h]quinoline
CID 149456781

Frequently Asked Questions

What is the IUPAC name of 6-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzothiazole?
The IUPAC name of 6-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzothiazole (CID 162265367) is 6-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzothiazole.
What is the SMILES notation for 6-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzothiazole?
The canonical SMILES for 6-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzothiazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)sc5c4)c(-c4cc5ccccc5c5ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)sc5c4)c(-c4cc5ccccc5c5ncccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)sc5c4)c(-c4nc5ccccc5c5ccccc45)c3)n2)cc1.
What is the InChIKey of 6-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzothiazole?
The InChIKey is ZZVHZVUQLGQLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4S.2C47H29N5S/c1-4-14-31(15-5-1)45-50-46(32-16-6-2-7-17-32)52-47(51-45)36-24-26-38(35-25-27-43-44(30-35)53-48(49-43)33-18-8-3-9-19-33)41(29-36)42-28-34-20-10-11-21-37(34)39-22-12-13-23-40(39)42;1-4-14-30(15-5-1)44-50-45(31-16-6-2-7-17-31)52-46(51-44)34-24-26-35(33-25-27-41-42(29-33)53-47(49-41)32-18-8-3-9-19-32)39(28-34)43-38-22-11-10-20-36(38)37-21-12-13-23-40(37)48-43;1-4-13-30(14-5-1)44-50-45(31-15-6-2-7-16-31)52-46(51-44)35-22-24-36(34-23-25-41-42(29-34)53-47(49-41)32-17-8-3-9-18-32)39(28-35)40-27-33-19-10-11-20-37(33)43-38(40)21-12-26-48-43/h1-30H;2*1-29H.
What are the key properties of 6-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzothiazole?
6-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzothiazole has a molecular weight of 2086.56 g/mol, XLogP of 37.16, 18 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-benzo[h]quinolin-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzothiazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzothiazole is sourced from PubChem (CID 162265367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).