5-[4-[2-(3-carbazol-9-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline

C200H122N16S4 — CID 163642771

IUPAC5-[4-[2-(3-carbazol-9-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline
SMILESc1cc(-c2nc(-c3ccc(-c4nc5sc6ccccc6c5c5ccccc45)cc3)cc(-c3ccc4ccccc4c3)n2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc(-c4nc5sc6ccccc6c5c5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4nc5sc6ccccc6c5c5ccccc45)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cccc(-c4nc5sc6ccccc6c5c5ccccc45)c3)n2)cc1
InChIInChI=1S/C53H32N4S.3C49H30N4S/c1-2-13-36-30-37(29-24-33(36)12-1)46-32-45(54-52(55-46)38-14-11-15-39(31-38)57-47-21-8-5-16-40(47)41-17-6-9-22-48(41)57)34-25-27-35(28-26-34)51-43-19-4-3-18-42(43)50-44-20-7-10-23-49(44)58-53(50)56-51;1-2-13-32(14-3-1)48-50-41(31-25-27-35(28-26-31)53-43-22-9-6-17-36(43)37-18-7-10-23-44(37)53)30-42(51-48)33-15-12-16-34(29-33)47-39-20-5-4-19-38(39)46-40-21-8-11-24-45(40)54-49(46)52-47;1-2-12-34(13-3-1)48-50-41(30-42(51-48)32-26-28-35(29-27-32)53-43-19-9-6-14-36(43)37-15-7-10-20-44(37)53)31-22-24-33(25-23-31)47-39-17-5-4-16-38(39)46-40-18-8-11-21-45(40)54-49(46)52-47;1-2-12-31(13-3-1)41-30-42(32-26-28-35(29-27-32)53-43-19-9-6-14-36(43)37-15-7-10-20-44(37)53)51-48(50-41)34-24-22-33(23-25-34)47-39-17-5-4-16-38(39)46-40-18-8-11-21-45(40)54-49(46)52-47/h1-32H;3*1-30H
InChIKeyIFRKXOMDMNZMRR-UHFFFAOYSA-N
MW2877.56 g/mol
LogP53.78
Rot. Bonds20

About 5-[4-[2-(3-carbazol-9-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline

5-[4-[2-(3-carbazol-9-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline (PubChem CID 163642771) has the molecular formula C200H122N16S4 and a molecular weight of 2877.56 g/mol. Its IUPAC name is 5-[4-[2-(3-carbazol-9-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline.

Molecular Properties

Compound Name5-[4-[2-(3-carbazol-9-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline
PubChem CID163642771
Molecular FormulaC200H122N16S4
Molecular Weight2877.56 g/mol
Exact Mass2874.89
IUPAC Name5-[4-[2-(3-carbazol-9-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline
SMILESc1cc(-c2nc(-c3ccc(-c4nc5sc6ccccc6c5c5ccccc45)cc3)cc(-c3ccc4ccccc4c3)n2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc(-c4nc5sc6ccccc6c5c5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4nc5sc6ccccc6c5c5ccccc45)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cccc(-c4nc5sc6ccccc6c5c5ccccc45)c3)n2)cc1
InChIInChI=1S/C53H32N4S.3C49H30N4S/c1-2-13-36-30-37(29-24-33(36)12-1)46-32-45(54-52(55-46)38-14-11-15-39(31-38)57-47-21-8-5-16-40(47)41-17-6-9-22-48(41)57)34-25-27-35(28-26-34)51-43-19-4-3-18-42(43)50-44-20-7-10-23-49(44)58-53(50)56-51;1-2-13-32(14-3-1)48-50-41(31-25-27-35(28-26-31)53-43-22-9-6-17-36(43)37-18-7-10-23-44(37)53)30-42(51-48)33-15-12-16-34(29-33)47-39-20-5-4-19-38(39)46-40-21-8-11-24-45(40)54-49(46)52-47;1-2-12-34(13-3-1)48-50-41(30-42(51-48)32-26-28-35(29-27-32)53-43-19-9-6-14-36(43)37-15-7-10-20-44(37)53)31-22-24-33(25-23-31)47-39-17-5-4-16-38(39)46-40-18-8-11-21-45(40)54-49(46)52-47;1-2-12-31(13-3-1)41-30-42(32-26-28-35(29-27-32)53-43-19-9-6-14-36(43)37-15-7-10-20-44(37)53)51-48(50-41)34-24-22-33(23-25-34)47-39-17-5-4-16-38(39)46-40-18-8-11-21-45(40)54-49(46)52-47/h1-32H;3*1-30H
InChIKeyIFRKXOMDMNZMRR-UHFFFAOYSA-N
XLogP53.78
TPSA174.40 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms220
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002877.56
LogP ≤ 553.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 5-[4-[2-(3-carbazol-9-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(3-carbazol-9-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline?
The IUPAC name of 5-[4-[2-(3-carbazol-9-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline (CID 163642771) is 5-[4-[2-(3-carbazol-9-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline.
What is the SMILES notation for 5-[4-[2-(3-carbazol-9-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline?
The canonical SMILES for 5-[4-[2-(3-carbazol-9-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline is c1cc(-c2nc(-c3ccc(-c4nc5sc6ccccc6c5c5ccccc45)cc3)cc(-c3ccc4ccccc4c3)n2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc(-c4nc5sc6ccccc6c5c5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4nc5sc6ccccc6c5c5ccccc45)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cccc(-c4nc5sc6ccccc6c5c5ccccc45)c3)n2)cc1.
What is the InChIKey of 5-[4-[2-(3-carbazol-9-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline?
The InChIKey is IFRKXOMDMNZMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4S.3C49H30N4S/c1-2-13-36-30-37(29-24-33(36)12-1)46-32-45(54-52(55-46)38-14-11-15-39(31-38)57-47-21-8-5-16-40(47)41-17-6-9-22-48(41)57)34-25-27-35(28-26-34)51-43-19-4-3-18-42(43)50-44-20-7-10-23-49(44)58-53(50)56-51;1-2-13-32(14-3-1)48-50-41(31-25-27-35(28-26-31)53-43-22-9-6-17-36(43)37-18-7-10-23-44(37)53)30-42(51-48)33-15-12-16-34(29-33)47-39-20-5-4-19-38(39)46-40-21-8-11-24-45(40)54-49(46)52-47;1-2-12-34(13-3-1)48-50-41(30-42(51-48)32-26-28-35(29-27-32)53-43-19-9-6-14-36(43)37-15-7-10-20-44(37)53)31-22-24-33(25-23-31)47-39-17-5-4-16-38(39)46-40-18-8-11-21-45(40)54-49(46)52-47;1-2-12-31(13-3-1)41-30-42(32-26-28-35(29-27-32)53-43-19-9-6-14-36(43)37-15-7-10-20-44(37)53)51-48(50-41)34-24-22-33(23-25-34)47-39-17-5-4-16-38(39)46-40-18-8-11-21-45(40)54-49(46)52-47/h1-32H;3*1-30H.
What are the key properties of 5-[4-[2-(3-carbazol-9-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline?
5-[4-[2-(3-carbazol-9-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline has a molecular weight of 2877.56 g/mol, XLogP of 53.78, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(3-carbazol-9-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-c]isoquinoline is sourced from PubChem (CID 163642771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).