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

C123H78N7OPS3 — CID 159989532

IUPAC6-[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
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3nc4ccccc4c4c3sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6c5sc5ccccc56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5nc6ccccc6c6c5sc5ccccc56)cc4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C43H27N3S.C41H25N3S.C39H26NOPS/c1-3-11-28(12-4-1)29-19-21-30(22-20-29)37-27-38(46-43(45-37)33-13-5-2-6-14-33)31-23-25-32(26-24-31)41-42-40(34-15-7-9-17-36(34)44-41)35-16-8-10-18-39(35)47-42;1-2-10-26(11-3-1)27-18-20-28(21-19-27)38-32-13-5-8-16-35(32)43-41(44-38)30-24-22-29(23-25-30)39-40-37(31-12-4-7-15-34(31)42-39)33-14-6-9-17-36(33)45-40;41-42(30-11-3-1-4-12-30,31-13-5-2-6-14-31)32-25-23-28(24-26-32)27-19-21-29(22-20-27)38-39-37(33-15-7-9-17-35(33)40-38)34-16-8-10-18-36(34)43-39/h1-27H;1-25H;1-26H
InChIKeyOGTSOZWIJRNIGE-UHFFFAOYSA-N
MW1797.20 g/mol
LogP32.52
Rot. Bonds14

About 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

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 (PubChem CID 159989532) has the molecular formula C123H78N7OPS3 and a molecular weight of 1797.20 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID159989532
Molecular FormulaC123H78N7OPS3
Molecular Weight1797.20 g/mol
Exact Mass1795.52
IUPAC Name6-[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
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3nc4ccccc4c4c3sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6c5sc5ccccc56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5nc6ccccc6c6c5sc5ccccc56)cc4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C43H27N3S.C41H25N3S.C39H26NOPS/c1-3-11-28(12-4-1)29-19-21-30(22-20-29)37-27-38(46-43(45-37)33-13-5-2-6-14-33)31-23-25-32(26-24-31)41-42-40(34-15-7-9-17-36(34)44-41)35-16-8-10-18-39(35)47-42;1-2-10-26(11-3-1)27-18-20-28(21-19-27)38-32-13-5-8-16-35(32)43-41(44-38)30-24-22-29(23-25-30)39-40-37(31-12-4-7-15-34(31)42-39)33-14-6-9-17-36(33)45-40;41-42(30-11-3-1-4-12-30,31-13-5-2-6-14-31)32-25-23-28(24-26-32)27-19-21-29(22-20-27)38-39-37(33-15-7-9-17-35(33)40-38)34-16-8-10-18-36(34)43-39/h1-27H;1-25H;1-26H
InChIKeyOGTSOZWIJRNIGE-UHFFFAOYSA-N
XLogP32.52
TPSA107.30 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001797.20
LogP ≤ 532.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 129087636
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
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-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129086546
6-[3-dibenzothiophen-2-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 129085986
11-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513367
6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 159603642
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
6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 129134458
11-[4-(4-phenylquinazolin-2-yl)phenyl]-9,20-dithia-12-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
CID 170063818
14-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]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 129123475
14-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]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 129123339

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3nc4ccccc4c4c3sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6c5sc5ccccc56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5nc6ccccc6c6c5sc5ccccc56)cc4)nc4ccccc34)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is OGTSOZWIJRNIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3S.C41H25N3S.C39H26NOPS/c1-3-11-28(12-4-1)29-19-21-30(22-20-29)37-27-38(46-43(45-37)33-13-5-2-6-14-33)31-23-25-32(26-24-31)41-42-40(34-15-7-9-17-36(34)44-41)35-16-8-10-18-39(35)47-42;1-2-10-26(11-3-1)27-18-20-28(21-19-27)38-32-13-5-8-16-35(32)43-41(44-38)30-24-22-29(23-25-30)39-40-37(31-12-4-7-15-34(31)42-39)33-14-6-9-17-36(33)45-40;41-42(30-11-3-1-4-12-30,31-13-5-2-6-14-31)32-25-23-28(24-26-32)27-19-21-29(22-20-27)38-39-37(33-15-7-9-17-35(33)40-38)34-16-8-10-18-36(34)43-39/h1-27H;1-25H;1-26H.
What are the key properties of 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?
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 has a molecular weight of 1797.20 g/mol, XLogP of 32.52, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159989532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).