6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(2-phenylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline

C121H75N9S3 — CID 160727234

IUPAC6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(2-phenylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6sc7ccccc7c56)cc4)cc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5nc6ccccc6c6sc7ccccc7c56)cc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4nc5ccccc5c5sc6ccccc6c45)cc3)c3ccccc3n2)cc1
InChIInChI=1S/2C43H27N3S.C35H21N3S/c1-3-11-30(12-4-1)37-27-38(31-13-5-2-6-14-31)46-43(45-37)33-25-21-29(22-26-33)28-19-23-32(24-20-28)41-40-35-16-8-10-18-39(35)47-42(40)34-15-7-9-17-36(34)44-41;1-3-11-28(12-4-1)29-19-21-31(22-20-29)38-27-37(30-13-5-2-6-14-30)45-43(46-38)33-25-23-32(24-26-33)41-40-35-16-8-10-18-39(35)47-42(40)34-15-7-9-17-36(34)44-41;1-2-10-24(11-3-1)35-37-28-15-7-4-12-25(28)32(38-35)22-18-20-23(21-19-22)33-31-27-14-6-9-17-30(27)39-34(31)26-13-5-8-16-29(26)36-33/h2*1-27H;1-21H
InChIKeyRTWHFWUTDBDDMK-UHFFFAOYSA-N
MW1751.20 g/mol
LogP33.00
Rot. Bonds13

About 6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(2-phenylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline

6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(2-phenylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline (PubChem CID 160727234) has the molecular formula C121H75N9S3 and a molecular weight of 1751.20 g/mol. Its IUPAC name is 6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(2-phenylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline.

Molecular Properties

Compound Name6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(2-phenylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline
PubChem CID160727234
Molecular FormulaC121H75N9S3
Molecular Weight1751.20 g/mol
Exact Mass1749.53
IUPAC Name6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(2-phenylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6sc7ccccc7c56)cc4)cc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5nc6ccccc6c6sc7ccccc7c56)cc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4nc5ccccc5c5sc6ccccc6c45)cc3)c3ccccc3n2)cc1
InChIInChI=1S/2C43H27N3S.C35H21N3S/c1-3-11-30(12-4-1)37-27-38(31-13-5-2-6-14-31)46-43(45-37)33-25-21-29(22-26-33)28-19-23-32(24-20-28)41-40-35-16-8-10-18-39(35)47-42(40)34-15-7-9-17-36(34)44-41;1-3-11-28(12-4-1)29-19-21-31(22-20-29)38-27-37(30-13-5-2-6-14-30)45-43(46-38)33-25-23-32(24-26-33)41-40-35-16-8-10-18-39(35)47-42(40)34-15-7-9-17-36(34)44-41;1-2-10-24(11-3-1)35-37-28-15-7-4-12-25(28)32(38-35)22-18-20-23(21-19-22)33-31-27-14-6-9-17-30(27)39-34(31)26-13-5-8-16-29(26)36-33/h2*1-27H;1-21H
InChIKeyRTWHFWUTDBDDMK-UHFFFAOYSA-N
XLogP33.00
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001751.20
LogP ≤ 533.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(2-phenylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline with MolForge

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Related Compounds

6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129086546
6-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129085889
6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129086221
6-[4-(4-phenyl-6-triphenylen-2-ylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 163849329
2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline
CID 157135780
11-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-thia-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene
CID 147338395
14-[4-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123355
6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 129087636
3-phenanthren-9-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 157089598
6-[4-(4-diphenylphosphorylphenyl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 159989532
3-phenyl-6-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 158533695
6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129085906

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(2-phenylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline?
The IUPAC name of 6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(2-phenylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline (CID 160727234) is 6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(2-phenylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline.
What is the SMILES notation for 6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(2-phenylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline?
The canonical SMILES for 6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(2-phenylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6sc7ccccc7c56)cc4)cc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5nc6ccccc6c6sc7ccccc7c56)cc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4nc5ccccc5c5sc6ccccc6c45)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(2-phenylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline?
The InChIKey is RTWHFWUTDBDDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C43H27N3S.C35H21N3S/c1-3-11-30(12-4-1)37-27-38(31-13-5-2-6-14-31)46-43(45-37)33-25-21-29(22-26-33)28-19-23-32(24-20-28)41-40-35-16-8-10-18-39(35)47-42(40)34-15-7-9-17-36(34)44-41;1-3-11-28(12-4-1)29-19-21-31(22-20-29)38-27-37(30-13-5-2-6-14-30)45-43(46-38)33-25-23-32(24-26-33)41-40-35-16-8-10-18-39(35)47-42(40)34-15-7-9-17-36(34)44-41;1-2-10-24(11-3-1)35-37-28-15-7-4-12-25(28)32(38-35)22-18-20-23(21-19-22)33-31-27-14-6-9-17-30(27)39-34(31)26-13-5-8-16-29(26)36-33/h2*1-27H;1-21H.
What are the key properties of 6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(2-phenylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline?
6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(2-phenylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline has a molecular weight of 1751.20 g/mol, XLogP of 33.00, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(2-phenylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline is sourced from PubChem (CID 160727234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).