2,4-bis(2-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-1-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-2-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-(3-naphthalen-2-ylphenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-[3-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine

C156H98N10S5 — CID 163435286

IUPAC2,4-bis(2-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-1-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-2-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-(3-naphthalen-2-ylphenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-[3-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccccc3-c3ccccc3)c3c(n2)sc2ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc3sc4ccccc4c23)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5ccccc5c4)c3)nc3sc4ccccc4c23)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc6ccccc6c5)c4)c3)nc3sc4ccccc4c23)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)nc3sc4ccccc4c23)cc1
InChIInChI=1S/C38H24N2S.C34H22N2S.C32H20N2S.2C26H16N2S/c1-2-11-26(12-3-1)36-35-33-18-6-7-19-34(33)41-38(35)40-37(39-36)32-17-9-16-30(24-32)28-14-8-15-29(23-28)31-21-20-25-10-4-5-13-27(25)22-31;1-3-13-23(14-4-1)25-17-7-9-19-27(25)32-31-29-21-11-12-22-30(29)37-34(31)36-33(35-32)28-20-10-8-18-26(28)24-15-5-2-6-16-24;1-2-10-22(11-3-1)30-29-27-15-6-7-16-28(27)35-32(29)34-31(33-30)26-14-8-13-24(20-26)25-18-17-21-9-4-5-12-23(21)19-25;1-2-10-18(11-3-1)24-23-21-14-6-7-16-22(21)29-26(23)28-25(27-24)20-15-8-12-17-9-4-5-13-19(17)20;1-2-9-18(10-3-1)24-23-21-12-6-7-13-22(21)29-26(23)28-25(27-24)20-15-14-17-8-4-5-11-19(17)16-20/h1-24H;1-22H;1-20H;2*1-16H
InChIKeyATYYHURXHBTDKK-UHFFFAOYSA-N
MW2272.90 g/mol
LogP43.84
Rot. Bonds15

About 2,4-bis(2-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-1-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-2-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-(3-naphthalen-2-ylphenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-[3-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine

2,4-bis(2-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-1-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-2-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-(3-naphthalen-2-ylphenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-[3-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine (PubChem CID 163435286) has the molecular formula C156H98N10S5 and a molecular weight of 2272.90 g/mol. Its IUPAC name is 2,4-bis(2-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-1-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-2-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-(3-naphthalen-2-ylphenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-[3-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-bis(2-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-1-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-2-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-(3-naphthalen-2-ylphenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-[3-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine
PubChem CID163435286
Molecular FormulaC156H98N10S5
Molecular Weight2272.90 g/mol
Exact Mass2270.66
IUPAC Name2,4-bis(2-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-1-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-2-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-(3-naphthalen-2-ylphenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-[3-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccccc3-c3ccccc3)c3c(n2)sc2ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc3sc4ccccc4c23)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5ccccc5c4)c3)nc3sc4ccccc4c23)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc6ccccc6c5)c4)c3)nc3sc4ccccc4c23)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)nc3sc4ccccc4c23)cc1
InChIInChI=1S/C38H24N2S.C34H22N2S.C32H20N2S.2C26H16N2S/c1-2-11-26(12-3-1)36-35-33-18-6-7-19-34(33)41-38(35)40-37(39-36)32-17-9-16-30(24-32)28-14-8-15-29(23-28)31-21-20-25-10-4-5-13-27(25)22-31;1-3-13-23(14-4-1)25-17-7-9-19-27(25)32-31-29-21-11-12-22-30(29)37-34(31)36-33(35-32)28-20-10-8-18-26(28)24-15-5-2-6-16-24;1-2-10-22(11-3-1)30-29-27-15-6-7-16-28(27)35-32(29)34-31(33-30)26-14-8-13-24(20-26)25-18-17-21-9-4-5-12-23(21)19-25;1-2-10-18(11-3-1)24-23-21-14-6-7-16-22(21)29-26(23)28-25(27-24)20-15-8-12-17-9-4-5-13-19(17)20;1-2-9-18(10-3-1)24-23-21-12-6-7-13-22(21)29-26(23)28-25(27-24)20-15-14-17-8-4-5-11-19(17)16-20/h1-24H;1-22H;1-20H;2*1-16H
InChIKeyATYYHURXHBTDKK-UHFFFAOYSA-N
XLogP43.84
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002272.90
LogP ≤ 543.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2,4-bis(2-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-1-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-2-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-(3-naphthalen-2-ylphenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-[3-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine with MolForge

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Related Compounds

2-(4-phenylphenyl)-4-[2-[2-[4-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[2-[2-[2-[4-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[2-[2-[3-[4-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine
CID 159508694
2-(3-phenylphenyl)-4-[2-[2-[4-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine
CID 122489964
4-(4-phenanthren-2-ylphenyl)-2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine;4-(4-phenanthren-9-ylphenyl)-2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine
CID 159312477
2-phenyl-4-[2-[2-(4-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine
CID 122489939
4-(3-phenylphenyl)-2-[2-[2-[2-[4-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine
CID 122489969
2,4-bis[4-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-[3-(3-phenylphenyl)phenyl]-4-[4-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine;4-[3-(3-phenylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine
CID 158156586
2-[3-(4-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenyl]-4-[3-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine
CID 122489663
2-(4-phenanthren-2-ylphenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine
CID 130210670
4-(4-phenylphenyl)-2-[2-[2-[4-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine
CID 122489954
2-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 159324879
4-phenyl-2-[2-[2-(4-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine
CID 122489942
2-(3-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139304442

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-1-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-2-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-(3-naphthalen-2-ylphenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-[3-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine?
The IUPAC name of 2,4-bis(2-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-1-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-2-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-(3-naphthalen-2-ylphenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-[3-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine (CID 163435286) is 2,4-bis(2-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-1-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-2-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-(3-naphthalen-2-ylphenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-[3-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-bis(2-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-1-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-2-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-(3-naphthalen-2-ylphenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-[3-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine?
The canonical SMILES for 2,4-bis(2-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-1-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-2-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-(3-naphthalen-2-ylphenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-[3-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine is c1ccc(-c2ccccc2-c2nc(-c3ccccc3-c3ccccc3)c3c(n2)sc2ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc3sc4ccccc4c23)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5ccccc5c4)c3)nc3sc4ccccc4c23)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc6ccccc6c5)c4)c3)nc3sc4ccccc4c23)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)nc3sc4ccccc4c23)cc1.
What is the InChIKey of 2,4-bis(2-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-1-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-2-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-(3-naphthalen-2-ylphenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-[3-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine?
The InChIKey is ATYYHURXHBTDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2S.C34H22N2S.C32H20N2S.2C26H16N2S/c1-2-11-26(12-3-1)36-35-33-18-6-7-19-34(33)41-38(35)40-37(39-36)32-17-9-16-30(24-32)28-14-8-15-29(23-28)31-21-20-25-10-4-5-13-27(25)22-31;1-3-13-23(14-4-1)25-17-7-9-19-27(25)32-31-29-21-11-12-22-30(29)37-34(31)36-33(35-32)28-20-10-8-18-26(28)24-15-5-2-6-16-24;1-2-10-22(11-3-1)30-29-27-15-6-7-16-28(27)35-32(29)34-31(33-30)26-14-8-13-24(20-26)25-18-17-21-9-4-5-12-23(21)19-25;1-2-10-18(11-3-1)24-23-21-14-6-7-16-22(21)29-26(23)28-25(27-24)20-15-8-12-17-9-4-5-13-19(17)20;1-2-9-18(10-3-1)24-23-21-12-6-7-13-22(21)29-26(23)28-25(27-24)20-15-14-17-8-4-5-11-19(17)16-20/h1-24H;1-22H;1-20H;2*1-16H.
What are the key properties of 2,4-bis(2-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-1-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-2-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-(3-naphthalen-2-ylphenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-[3-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine?
2,4-bis(2-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-1-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-2-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-(3-naphthalen-2-ylphenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-[3-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine has a molecular weight of 2272.90 g/mol, XLogP of 43.84, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-1-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-naphthalen-2-yl-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-(3-naphthalen-2-ylphenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-[3-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine is sourced from PubChem (CID 163435286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).