2-(3-benzo[h]quinolin-6-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[h]quinoline;6-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;6-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[h]quinoline

C135H85N13S — CID 161417806

IUPAC2-(3-benzo[h]quinolin-6-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[h]quinoline;6-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;6-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[h]quinoline
SMILESc1cc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)cc(-c2cc3cccnc3c3ccccc23)c1.c1ccc(-c2nc(-c3cccc(-c4cc5cccnc5c5ccccc45)c3)nc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-c4cc5cccnc5c5ccccc45)c3)nc3ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-c2cccc(-c3cc4cccnc4c4ccccc34)c2)cc1
InChIInChI=1S/C35H21N3S.C34H22N4.2C33H21N3/c1-2-10-22(11-3-1)32-34-33(28-17-6-7-18-30(28)39-34)38-35(37-32)25-13-8-12-23(20-25)29-21-24-14-9-19-36-31(24)27-16-5-4-15-26(27)29;1-2-9-30-29(8-1)31(20-27-7-4-14-37-34(27)30)26-6-3-5-25(19-26)28-21-32(23-10-15-35-16-11-23)38-33(22-28)24-12-17-36-18-13-24;1-2-10-22(11-3-1)32-28-17-6-7-18-30(28)35-33(36-32)25-13-8-12-23(20-25)29-21-24-14-9-19-34-31(24)27-16-5-4-15-26(27)29;1-2-10-22(11-3-1)32-33(36-30-18-7-6-17-29(30)35-32)24-13-8-12-23(20-24)28-21-25-14-9-19-34-31(25)27-16-5-4-15-26(27)28/h1-21H;1-22H;2*1-21H
InChIKeyVWHWNKISPMYLCW-UHFFFAOYSA-N
MW1921.32 g/mol
LogP34.45
Rot. Bonds13

About 2-(3-benzo[h]quinolin-6-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[h]quinoline;6-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;6-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[h]quinoline

2-(3-benzo[h]quinolin-6-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[h]quinoline;6-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;6-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[h]quinoline (PubChem CID 161417806) has the molecular formula C135H85N13S and a molecular weight of 1921.32 g/mol. Its IUPAC name is 2-(3-benzo[h]quinolin-6-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[h]quinoline;6-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;6-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[h]quinoline.

Molecular Properties

Compound Name2-(3-benzo[h]quinolin-6-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[h]quinoline;6-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;6-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[h]quinoline
PubChem CID161417806
Molecular FormulaC135H85N13S
Molecular Weight1921.32 g/mol
Exact Mass1919.68
IUPAC Name2-(3-benzo[h]quinolin-6-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[h]quinoline;6-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;6-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[h]quinoline
SMILESc1cc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)cc(-c2cc3cccnc3c3ccccc23)c1.c1ccc(-c2nc(-c3cccc(-c4cc5cccnc5c5ccccc45)c3)nc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-c4cc5cccnc5c5ccccc45)c3)nc3ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-c2cccc(-c3cc4cccnc4c4ccccc34)c2)cc1
InChIInChI=1S/C35H21N3S.C34H22N4.2C33H21N3/c1-2-10-22(11-3-1)32-34-33(28-17-6-7-18-30(28)39-34)38-35(37-32)25-13-8-12-23(20-25)29-21-24-14-9-19-36-31(24)27-16-5-4-15-26(27)29;1-2-9-30-29(8-1)31(20-27-7-4-14-37-34(27)30)26-6-3-5-25(19-26)28-21-32(23-10-15-35-16-11-23)38-33(22-28)24-12-17-36-18-13-24;1-2-10-22(11-3-1)32-28-17-6-7-18-30(28)35-33(36-32)25-13-8-12-23(20-25)29-21-24-14-9-19-34-31(24)27-16-5-4-15-26(27)29;1-2-10-22(11-3-1)32-33(36-30-18-7-6-17-29(30)35-32)24-13-8-12-23(20-24)28-21-25-14-9-19-34-31(25)27-16-5-4-15-26(27)28/h1-21H;1-22H;2*1-21H
InChIKeyVWHWNKISPMYLCW-UHFFFAOYSA-N
XLogP34.45
TPSA167.57 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001921.32
LogP ≤ 534.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-(3-benzo[h]quinolin-6-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[h]quinoline;6-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;6-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[h]quinoline with MolForge

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Related Compounds

2-[4-(4-benzo[h]quinolin-6-ylphenyl)phenyl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 155792495
2-[4-(3-benzo[h]quinolin-6-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline;6-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 158292757
2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 163614992
6-[4-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]benzo[h]quinoline
CID 147418252
4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 159932123
2-[3-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 122628625
2-(3-phenylphenyl)-4-[3-[3-[3-phenyl-5-[3-[4-[3-[3-[3-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 163725705
2-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 118229400
4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;ethane
CID 159327254
4-phenyl-2-[3-[3-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 118229396
2-[6-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]anthracen-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 158664399
4-(3,5-diphenylphenyl)-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 118229346

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzo[h]quinolin-6-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[h]quinoline;6-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;6-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[h]quinoline?
The IUPAC name of 2-(3-benzo[h]quinolin-6-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[h]quinoline;6-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;6-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[h]quinoline (CID 161417806) is 2-(3-benzo[h]quinolin-6-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[h]quinoline;6-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;6-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[h]quinoline.
What is the SMILES notation for 2-(3-benzo[h]quinolin-6-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[h]quinoline;6-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;6-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[h]quinoline?
The canonical SMILES for 2-(3-benzo[h]quinolin-6-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[h]quinoline;6-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;6-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[h]quinoline is c1cc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)cc(-c2cc3cccnc3c3ccccc23)c1.c1ccc(-c2nc(-c3cccc(-c4cc5cccnc5c5ccccc45)c3)nc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-c4cc5cccnc5c5ccccc45)c3)nc3ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-c2cccc(-c3cc4cccnc4c4ccccc34)c2)cc1.
What is the InChIKey of 2-(3-benzo[h]quinolin-6-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[h]quinoline;6-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;6-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[h]quinoline?
The InChIKey is VWHWNKISPMYLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3S.C34H22N4.2C33H21N3/c1-2-10-22(11-3-1)32-34-33(28-17-6-7-18-30(28)39-34)38-35(37-32)25-13-8-12-23(20-25)29-21-24-14-9-19-36-31(24)27-16-5-4-15-26(27)29;1-2-9-30-29(8-1)31(20-27-7-4-14-37-34(27)30)26-6-3-5-25(19-26)28-21-32(23-10-15-35-16-11-23)38-33(22-28)24-12-17-36-18-13-24;1-2-10-22(11-3-1)32-28-17-6-7-18-30(28)35-33(36-32)25-13-8-12-23(20-25)29-21-24-14-9-19-34-31(24)27-16-5-4-15-26(27)29;1-2-10-22(11-3-1)32-33(36-30-18-7-6-17-29(30)35-32)24-13-8-12-23(20-24)28-21-25-14-9-19-34-31(25)27-16-5-4-15-26(27)28/h1-21H;1-22H;2*1-21H.
What are the key properties of 2-(3-benzo[h]quinolin-6-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[h]quinoline;6-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;6-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[h]quinoline?
2-(3-benzo[h]quinolin-6-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[h]quinoline;6-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;6-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[h]quinoline has a molecular weight of 1921.32 g/mol, XLogP of 34.45, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzo[h]quinolin-6-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[h]quinoline;6-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;6-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[h]quinoline is sourced from PubChem (CID 161417806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).