10-dibenzofuran-4-yl-5-(3-phenylphenyl)-3-pyrimidin-2-yl-[1]benzothiolo[3,2-c]carbazole;3-(4,6-diphenylpyrimidin-2-yl)-12,12-dimethyl-5,9-diphenylindeno[1,2-c]carbazole

C95H62N6OS — CID 160775503

IUPAC10-dibenzofuran-4-yl-5-(3-phenylphenyl)-3-pyrimidin-2-yl-[1]benzothiolo[3,2-c]carbazole;3-(4,6-diphenylpyrimidin-2-yl)-12,12-dimethyl-5,9-diphenylindeno[1,2-c]carbazole
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2ccc3c(c21)c1ccc(-c2nc(-c4ccccc4)cc(-c4ccccc4)n2)cc1n3-c1ccccc1.c1ccc(-c2cccc(-n3c4cc(-c5ncccn5)ccc4c4c5sc6cc(-c7cccc8c7oc7ccccc78)ccc6c5ccc43)c2)cc1
InChIInChI=1S/C49H35N3.C46H27N3OS/c1-49(2)41-27-24-35(32-15-7-3-8-16-32)29-40(41)38-26-28-44-46(47(38)49)39-25-23-36(30-45(39)52(44)37-21-13-6-14-22-37)48-50-42(33-17-9-4-10-18-33)31-43(51-48)34-19-11-5-12-20-34;1-2-9-28(10-3-1)29-11-6-12-32(25-29)49-39-22-21-37-35-19-17-30(33-14-7-15-36-34-13-4-5-16-41(34)50-44(33)36)27-42(35)51-45(37)43(39)38-20-18-31(26-40(38)49)46-47-23-8-24-48-46/h3-31H,1-2H3;1-27H
InChIKeyRZWUKZNUSDXKJV-UHFFFAOYSA-N
MW1335.65 g/mol
LogP25.39
Rot. Bonds9

About 10-dibenzofuran-4-yl-5-(3-phenylphenyl)-3-pyrimidin-2-yl-[1]benzothiolo[3,2-c]carbazole;3-(4,6-diphenylpyrimidin-2-yl)-12,12-dimethyl-5,9-diphenylindeno[1,2-c]carbazole

10-dibenzofuran-4-yl-5-(3-phenylphenyl)-3-pyrimidin-2-yl-[1]benzothiolo[3,2-c]carbazole;3-(4,6-diphenylpyrimidin-2-yl)-12,12-dimethyl-5,9-diphenylindeno[1,2-c]carbazole (PubChem CID 160775503) has the molecular formula C95H62N6OS and a molecular weight of 1335.65 g/mol. Its IUPAC name is 10-dibenzofuran-4-yl-5-(3-phenylphenyl)-3-pyrimidin-2-yl-[1]benzothiolo[3,2-c]carbazole;3-(4,6-diphenylpyrimidin-2-yl)-12,12-dimethyl-5,9-diphenylindeno[1,2-c]carbazole.

Molecular Properties

Compound Name10-dibenzofuran-4-yl-5-(3-phenylphenyl)-3-pyrimidin-2-yl-[1]benzothiolo[3,2-c]carbazole;3-(4,6-diphenylpyrimidin-2-yl)-12,12-dimethyl-5,9-diphenylindeno[1,2-c]carbazole
PubChem CID160775503
Molecular FormulaC95H62N6OS
Molecular Weight1335.65 g/mol
Exact Mass1334.47
IUPAC Name10-dibenzofuran-4-yl-5-(3-phenylphenyl)-3-pyrimidin-2-yl-[1]benzothiolo[3,2-c]carbazole;3-(4,6-diphenylpyrimidin-2-yl)-12,12-dimethyl-5,9-diphenylindeno[1,2-c]carbazole
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2ccc3c(c21)c1ccc(-c2nc(-c4ccccc4)cc(-c4ccccc4)n2)cc1n3-c1ccccc1.c1ccc(-c2cccc(-n3c4cc(-c5ncccn5)ccc4c4c5sc6cc(-c7cccc8c7oc7ccccc78)ccc6c5ccc43)c2)cc1
InChIInChI=1S/C49H35N3.C46H27N3OS/c1-49(2)41-27-24-35(32-15-7-3-8-16-32)29-40(41)38-26-28-44-46(47(38)49)39-25-23-36(30-45(39)52(44)37-21-13-6-14-22-37)48-50-42(33-17-9-4-10-18-33)31-43(51-48)34-19-11-5-12-20-34;1-2-9-28(10-3-1)29-11-6-12-32(25-29)49-39-22-21-37-35-19-17-30(33-14-7-15-36-34-13-4-5-16-41(34)50-44(33)36)27-42(35)51-45(37)43(39)38-20-18-31(26-40(38)49)46-47-23-8-24-48-46/h3-31H,1-2H3;1-27H
InChIKeyRZWUKZNUSDXKJV-UHFFFAOYSA-N
XLogP25.39
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001335.65
LogP ≤ 525.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 10-dibenzofuran-4-yl-5-(3-phenylphenyl)-3-pyrimidin-2-yl-[1]benzothiolo[3,2-c]carbazole;3-(4,6-diphenylpyrimidin-2-yl)-12,12-dimethyl-5,9-diphenylindeno[1,2-c]carbazole with MolForge

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Related Compounds

5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole;2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 158869733
5-[2-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 163786052
3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzothiophen-4-yl-6-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole
CID 159827512
4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;5-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;2-phenyl-4-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 158730008
5-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154691
12,12-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indeno[1,2-c]carbazole
CID 169014734
5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 160957754
3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole;4-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 161402392
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 159746614
5-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole
CID 159212687
4-[3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-2,6-diphenylpyrimidine
CID 154602683
7-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[c]carbazole;3-(3-phenylphenyl)-5-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 158126193

Frequently Asked Questions

What is the IUPAC name of 10-dibenzofuran-4-yl-5-(3-phenylphenyl)-3-pyrimidin-2-yl-[1]benzothiolo[3,2-c]carbazole;3-(4,6-diphenylpyrimidin-2-yl)-12,12-dimethyl-5,9-diphenylindeno[1,2-c]carbazole?
The IUPAC name of 10-dibenzofuran-4-yl-5-(3-phenylphenyl)-3-pyrimidin-2-yl-[1]benzothiolo[3,2-c]carbazole;3-(4,6-diphenylpyrimidin-2-yl)-12,12-dimethyl-5,9-diphenylindeno[1,2-c]carbazole (CID 160775503) is 10-dibenzofuran-4-yl-5-(3-phenylphenyl)-3-pyrimidin-2-yl-[1]benzothiolo[3,2-c]carbazole;3-(4,6-diphenylpyrimidin-2-yl)-12,12-dimethyl-5,9-diphenylindeno[1,2-c]carbazole.
What is the SMILES notation for 10-dibenzofuran-4-yl-5-(3-phenylphenyl)-3-pyrimidin-2-yl-[1]benzothiolo[3,2-c]carbazole;3-(4,6-diphenylpyrimidin-2-yl)-12,12-dimethyl-5,9-diphenylindeno[1,2-c]carbazole?
The canonical SMILES for 10-dibenzofuran-4-yl-5-(3-phenylphenyl)-3-pyrimidin-2-yl-[1]benzothiolo[3,2-c]carbazole;3-(4,6-diphenylpyrimidin-2-yl)-12,12-dimethyl-5,9-diphenylindeno[1,2-c]carbazole is CC1(C)c2ccc(-c3ccccc3)cc2-c2ccc3c(c21)c1ccc(-c2nc(-c4ccccc4)cc(-c4ccccc4)n2)cc1n3-c1ccccc1.c1ccc(-c2cccc(-n3c4cc(-c5ncccn5)ccc4c4c5sc6cc(-c7cccc8c7oc7ccccc78)ccc6c5ccc43)c2)cc1.
What is the InChIKey of 10-dibenzofuran-4-yl-5-(3-phenylphenyl)-3-pyrimidin-2-yl-[1]benzothiolo[3,2-c]carbazole;3-(4,6-diphenylpyrimidin-2-yl)-12,12-dimethyl-5,9-diphenylindeno[1,2-c]carbazole?
The InChIKey is RZWUKZNUSDXKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3.C46H27N3OS/c1-49(2)41-27-24-35(32-15-7-3-8-16-32)29-40(41)38-26-28-44-46(47(38)49)39-25-23-36(30-45(39)52(44)37-21-13-6-14-22-37)48-50-42(33-17-9-4-10-18-33)31-43(51-48)34-19-11-5-12-20-34;1-2-9-28(10-3-1)29-11-6-12-32(25-29)49-39-22-21-37-35-19-17-30(33-14-7-15-36-34-13-4-5-16-41(34)50-44(33)36)27-42(35)51-45(37)43(39)38-20-18-31(26-40(38)49)46-47-23-8-24-48-46/h3-31H,1-2H3;1-27H.
What are the key properties of 10-dibenzofuran-4-yl-5-(3-phenylphenyl)-3-pyrimidin-2-yl-[1]benzothiolo[3,2-c]carbazole;3-(4,6-diphenylpyrimidin-2-yl)-12,12-dimethyl-5,9-diphenylindeno[1,2-c]carbazole?
10-dibenzofuran-4-yl-5-(3-phenylphenyl)-3-pyrimidin-2-yl-[1]benzothiolo[3,2-c]carbazole;3-(4,6-diphenylpyrimidin-2-yl)-12,12-dimethyl-5,9-diphenylindeno[1,2-c]carbazole has a molecular weight of 1335.65 g/mol, XLogP of 25.39, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dibenzofuran-4-yl-5-(3-phenylphenyl)-3-pyrimidin-2-yl-[1]benzothiolo[3,2-c]carbazole;3-(4,6-diphenylpyrimidin-2-yl)-12,12-dimethyl-5,9-diphenylindeno[1,2-c]carbazole is sourced from PubChem (CID 160775503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).