5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-3-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole

C162H97N13O2S3 — CID 157258130

IUPAC5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-3-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1cc(-c2ccnc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)n2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2ccc3c4c5oc6ccccc6c5ccc4n(-c4nc(-c5cccc6c5sc5ccccc56)c5ccccc5n4)c3c2)cc1.c1ccc(-c2ccc3c4c5sc6ccccc6c5ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)cc1.c1ccc(-c2ccc3nc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)nc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C44H25N3OS.C40H24N4S.C40H25N3S.C38H23N3O/c1-2-11-26(12-3-1)27-21-22-33-37(25-27)47(36-24-23-30-28-13-5-8-19-38(28)48-42(30)40(33)36)44-45-35-18-7-4-15-32(35)41(46-44)34-17-10-16-31-29-14-6-9-20-39(29)49-43(31)34;1-5-16-33-27(12-1)28-13-2-6-17-34(28)43(33)26-11-9-10-25(24-26)32-22-23-41-40(42-32)44-35-18-7-3-15-31(35)38-36(44)21-20-30-29-14-4-8-19-37(29)45-39(30)38;1-4-12-26(13-5-1)29-20-21-32-36(24-29)43(35-23-22-31-30-18-10-11-19-37(30)44-39(31)38(32)35)40-41-33(27-14-6-2-7-15-27)25-34(42-40)28-16-8-3-9-17-28;1-3-11-24(12-4-1)26-19-21-31-30(23-26)36(25-13-5-2-6-14-25)40-38(39-31)41-32-17-9-7-16-29(32)35-33(41)22-20-28-27-15-8-10-18-34(27)42-37(28)35/h1-25H;1-24H;1-25H;1-23H
InChIKeyAXDCJGCLEAYOFH-UHFFFAOYSA-N
MW2353.85 g/mol
LogP43.94
Rot. Bonds13

About 5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-3-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole

5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-3-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 157258130) has the molecular formula C162H97N13O2S3 and a molecular weight of 2353.85 g/mol. Its IUPAC name is 5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-3-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-3-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole
PubChem CID157258130
Molecular FormulaC162H97N13O2S3
Molecular Weight2353.85 g/mol
Exact Mass2351.71
IUPAC Name5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-3-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1cc(-c2ccnc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)n2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2ccc3c4c5oc6ccccc6c5ccc4n(-c4nc(-c5cccc6c5sc5ccccc56)c5ccccc5n4)c3c2)cc1.c1ccc(-c2ccc3c4c5sc6ccccc6c5ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)cc1.c1ccc(-c2ccc3nc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)nc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C44H25N3OS.C40H24N4S.C40H25N3S.C38H23N3O/c1-2-11-26(12-3-1)27-21-22-33-37(25-27)47(36-24-23-30-28-13-5-8-19-38(28)48-42(30)40(33)36)44-45-35-18-7-4-15-32(35)41(46-44)34-17-10-16-31-29-14-6-9-20-39(29)49-43(31)34;1-5-16-33-27(12-1)28-13-2-6-17-34(28)43(33)26-11-9-10-25(24-26)32-22-23-41-40(42-32)44-35-18-7-3-15-31(35)38-36(44)21-20-30-29-14-4-8-19-37(29)45-39(30)38;1-4-12-26(13-5-1)29-20-21-32-36(24-29)43(35-23-22-31-30-18-10-11-19-37(30)44-39(31)38(32)35)40-41-33(27-14-6-2-7-15-27)25-34(42-40)28-16-8-3-9-17-28;1-3-11-24(12-4-1)26-19-21-31-30(23-26)36(25-13-5-2-6-14-25)40-38(39-31)41-32-17-9-7-16-29(32)35-33(41)22-20-28-27-15-8-10-18-34(27)42-37(28)35/h1-25H;1-24H;1-25H;1-23H
InChIKeyAXDCJGCLEAYOFH-UHFFFAOYSA-N
XLogP43.94
TPSA154.05 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002353.85
LogP ≤ 543.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-3-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-3-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-3-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole (CID 157258130) is 5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-3-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-3-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-3-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole is c1cc(-c2ccnc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)n2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2ccc3c4c5oc6ccccc6c5ccc4n(-c4nc(-c5cccc6c5sc5ccccc56)c5ccccc5n4)c3c2)cc1.c1ccc(-c2ccc3c4c5sc6ccccc6c5ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)cc1.c1ccc(-c2ccc3nc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)nc(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-3-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is AXDCJGCLEAYOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N3OS.C40H24N4S.C40H25N3S.C38H23N3O/c1-2-11-26(12-3-1)27-21-22-33-37(25-27)47(36-24-23-30-28-13-5-8-19-38(28)48-42(30)40(33)36)44-45-35-18-7-4-15-32(35)41(46-44)34-17-10-16-31-29-14-6-9-20-39(29)49-43(31)34;1-5-16-33-27(12-1)28-13-2-6-17-34(28)43(33)26-11-9-10-25(24-26)32-22-23-41-40(42-32)44-35-18-7-3-15-31(35)38-36(44)21-20-30-29-14-4-8-19-37(29)45-39(30)38;1-4-12-26(13-5-1)29-20-21-32-36(24-29)43(35-23-22-31-30-18-10-11-19-37(30)44-39(31)38(32)35)40-41-33(27-14-6-2-7-15-27)25-34(42-40)28-16-8-3-9-17-28;1-3-11-24(12-4-1)26-19-21-31-30(23-26)36(25-13-5-2-6-14-25)40-38(39-31)41-32-17-9-7-16-29(32)35-33(41)22-20-28-27-15-8-10-18-34(27)42-37(28)35/h1-25H;1-24H;1-25H;1-23H.
What are the key properties of 5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-3-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole?
5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-3-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole has a molecular weight of 2353.85 g/mol, XLogP of 43.94, 13 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-3-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 157258130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).