10-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-2-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-9-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[6-(4-phenanthren-2-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline

C205H128N12S4 — CID 163571462

About 10-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-2-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-9-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[6-(4-phenanthren-2-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline

10-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-2-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-9-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[6-(4-phenanthren-2-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline (PubChem CID 163571462) has the molecular formula C205H128N12S4 and a molecular weight of 2887.63 g/mol. Its IUPAC name is 10-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-2-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-9-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[6-(4-phenanthren-2-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline.

Molecular Properties

• Compound Name: 10-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-2-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-9-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[6-(4-phenanthren-2-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
• PubChem CID: 163571462
• Molecular Formula: C205H128N12S4
• Molecular Weight: 2887.63 g/mol
• Exact Mass: 2884.93
• IUPAC Name: 10-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-2-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-9-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[6-(4-phenanthren-2-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5ccc6sc7c(-c8ccccc8)nc8ccccc8c7c6c5)cc4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2cc(-c3ccc4sc5c(-c6ccccc6)nc6ccccc6c5c4c3)nc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc4sc5c(-c6ccccc6)nc6ccccc6c5c4c3)nc(-c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)cc(-c3ccc4sc5c(-c6ccccc6)nc6ccccc6c5c4c3)n2)cc1
• InChI: InChI=1S/C52H35N3S.3C51H31N3S/c1-52(2)42-19-11-9-17-38(42)39-27-25-37(30-43(39)52)46-31-45(54-51(55-46)35-15-7-4-8-16-35)33-23-21-32(22-24-33)36-26-28-47-41(29-36)48-40-18-10-12-20-44(40)53-49(50(48)56-47)34-13-5-3-6-14-34;1-3-13-33(14-4-1)45-31-46(37-27-28-47-43(30-37)48-41-21-11-12-22-44(41)52-49(50(48)55-47)34-15-5-2-6-16-34)54-51(53-45)35-25-23-32(24-26-35)42-29-36-17-7-8-18-38(36)39-19-9-10-20-40(39)42;1-3-12-35(13-4-1)49-50-48(42-17-9-10-18-44(42)52-49)43-30-39(26-28-47(43)55-50)46-31-45(53-51(54-46)36-14-5-2-6-15-36)34-22-19-32(20-23-34)37-25-27-41-38(29-37)24-21-33-11-7-8-16-40(33)41;1-3-12-34(13-4-1)45-31-46(39-26-28-47-43(30-39)48-42-17-9-10-18-44(42)52-49(50(48)55-47)35-14-5-2-6-15-35)54-51(53-45)36-22-19-32(20-23-36)37-25-27-41-38(29-37)24-21-33-11-7-8-16-40(33)41/h3-31H,1-2H3;3*1-31H
• InChIKey: FZRVHEBAVKUNSO-UHFFFAOYSA-N
• XLogP: 56.14
• TPSA: 154.68 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2887.63
LogP ≤ 5	56.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-2-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-9-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[6-(4-phenanthren-2-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline?

The IUPAC name of 10-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-2-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-9-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[6-(4-phenanthren-2-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline (CID 163571462) is 10-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-2-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-9-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[6-(4-phenanthren-2-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline.

What is the SMILES notation for 10-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-2-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-9-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[6-(4-phenanthren-2-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline?

The canonical SMILES for 10-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-2-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-9-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[6-(4-phenanthren-2-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5ccc6sc7c(-c8ccccc8)nc8ccccc8c7c6c5)cc4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2cc(-c3ccc4sc5c(-c6ccccc6)nc6ccccc6c5c4c3)nc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc4sc5c(-c6ccccc6)nc6ccccc6c5c4c3)nc(-c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)cc(-c3ccc4sc5c(-c6ccccc6)nc6ccccc6c5c4c3)n2)cc1.

What is the InChIKey of 10-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-2-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-9-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[6-(4-phenanthren-2-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline?

The InChIKey is FZRVHEBAVKUNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3S.3C51H31N3S/c1-52(2)42-19-11-9-17-38(42)39-27-25-37(30-43(39)52)46-31-45(54-51(55-46)35-15-7-4-8-16-35)33-23-21-32(22-24-33)36-26-28-47-41(29-36)48-40-18-10-12-20-44(40)53-49(50(48)56-47)34-13-5-3-6-14-34;1-3-13-33(14-4-1)45-31-46(37-27-28-47-43(30-37)48-41-21-11-12-22-44(41)52-49(50(48)55-47)34-15-5-2-6-16-34)54-51(53-45)35-25-23-32(24-26-35)42-29-36-17-7-8-18-38(36)39-19-9-10-20-40(39)42;1-3-12-35(13-4-1)49-50-48(42-17-9-10-18-44(42)52-49)43-30-39(26-28-47(43)55-50)46-31-45(53-51(54-46)36-14-5-2-6-15-36)34-22-19-32(20-23-34)37-25-27-41-38(29-37)24-21-33-11-7-8-16-40(33)41;1-3-12-34(13-4-1)45-31-46(39-26-28-47-43(30-39)48-42-17-9-10-18-44(42)52-49(50(48)55-47)35-14-5-2-6-15-35)54-51(53-45)36-22-19-32(20-23-36)37-25-27-41-38(29-37)24-21-33-11-7-8-16-40(33)41/h3-31H,1-2H3;3*1-31H.

What are the key properties of 10-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-2-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-9-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[6-(4-phenanthren-2-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline?

10-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-2-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-9-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[6-(4-phenanthren-2-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline has a molecular weight of 2887.63 g/mol, XLogP of 56.14, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-2-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-9-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[6-(4-phenanthren-2-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 163571462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).