4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-b]carbazole;2-phenyl-4-(7-phenylindolo[2,3-b]carbazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidine

C145H87N13OS5 — CID 161081174

IUPAC4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-b]carbazole;2-phenyl-4-(7-phenylindolo[2,3-b]carbazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc5c4sc4ccccc45)c3cc21.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c3sc4ccccc4c3n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)c3sc4ccccc4c3n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)c3sc4ccccc4c3n2)cc1
InChIInChI=1S/C40H24N4S.C37H25N3S.C34H19N3OS.C34H19N3S2/c1-3-13-25(14-4-1)39-41-37-29-19-9-12-22-36(29)45-38(37)40(42-39)44-33-21-11-8-18-28(33)31-23-30-27-17-7-10-20-32(27)43(34(30)24-35(31)44)26-15-5-2-6-16-26;1-37(2)28-17-9-6-14-23(28)26-20-27-24-15-7-10-18-30(24)40(31(27)21-29(26)37)36-34-33(25-16-8-11-19-32(25)41-34)38-35(39-36)22-12-4-3-5-13-22;1-2-10-20(11-3-1)33-35-31-23-14-6-9-17-30(23)39-32(31)34(36-33)37-26-15-7-4-12-21(26)24-18-25-22-13-5-8-16-28(22)38-29(25)19-27(24)37;1-2-10-20(11-3-1)33-35-31-23-14-6-9-17-29(23)39-32(31)34(36-33)37-26-15-7-4-12-21(26)24-18-25-22-13-5-8-16-28(22)38-30(25)19-27(24)37/h1-24H;3-21H,1-2H3;2*1-19H
InChIKeyUFXWBFQUGFVHHO-UHFFFAOYSA-N
MW2187.72 g/mol
LogP40.11
Rot. Bonds9

About 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-b]carbazole;2-phenyl-4-(7-phenylindolo[2,3-b]carbazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidine

4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-b]carbazole;2-phenyl-4-(7-phenylindolo[2,3-b]carbazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 161081174) has the molecular formula C145H87N13OS5 and a molecular weight of 2187.72 g/mol. Its IUPAC name is 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-b]carbazole;2-phenyl-4-(7-phenylindolo[2,3-b]carbazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-b]carbazole;2-phenyl-4-(7-phenylindolo[2,3-b]carbazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID161081174
Molecular FormulaC145H87N13OS5
Molecular Weight2187.72 g/mol
Exact Mass2185.58
IUPAC Name4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-b]carbazole;2-phenyl-4-(7-phenylindolo[2,3-b]carbazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc5c4sc4ccccc45)c3cc21.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c3sc4ccccc4c3n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)c3sc4ccccc4c3n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)c3sc4ccccc4c3n2)cc1
InChIInChI=1S/C40H24N4S.C37H25N3S.C34H19N3OS.C34H19N3S2/c1-3-13-25(14-4-1)39-41-37-29-19-9-12-22-36(29)45-38(37)40(42-39)44-33-21-11-8-18-28(33)31-23-30-27-17-7-10-20-32(27)43(34(30)24-35(31)44)26-15-5-2-6-16-26;1-37(2)28-17-9-6-14-23(28)26-20-27-24-15-7-10-18-30(24)40(31(27)21-29(26)37)36-34-33(25-16-8-11-19-32(25)41-34)38-35(39-36)22-12-4-3-5-13-22;1-2-10-20(11-3-1)33-35-31-23-14-6-9-17-30(23)39-32(31)34(36-33)37-26-15-7-4-12-21(26)24-18-25-22-13-5-8-16-28(22)38-29(25)19-27(24)37;1-2-10-20(11-3-1)33-35-31-23-14-6-9-17-29(23)39-32(31)34(36-33)37-26-15-7-4-12-21(26)24-18-25-22-13-5-8-16-28(22)38-30(25)19-27(24)37/h1-24H;3-21H,1-2H3;2*1-19H
InChIKeyUFXWBFQUGFVHHO-UHFFFAOYSA-N
XLogP40.11
TPSA140.91 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds9
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002187.72
LogP ≤ 540.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-b]carbazole;2-phenyl-4-(7-phenylindolo[2,3-b]carbazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidine with MolForge

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Related Compounds

[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;diphenyl-(9-phenylcarbazol-1-yl)-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]silane
CID 161147090
5-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazole;7-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;5-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole
CID 159218476
2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 130333901
2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 163930880
7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 158381468
15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-19,19-dimethyl-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 121459492
9-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223723
5-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 163717305
11-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]carbazole;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11,11-dimethylindeno[1,2-b]carbazole
CID 161432875
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethyl-18-phenyl-15,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17(25),19,21,23,26-dodecaene
CID 159872132
[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;diphenyl-(9-phenylcarbazol-3-yl)-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]silane
CID 160702748
5-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 158901349

Frequently Asked Questions

What is the IUPAC name of 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-b]carbazole;2-phenyl-4-(7-phenylindolo[2,3-b]carbazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-b]carbazole;2-phenyl-4-(7-phenylindolo[2,3-b]carbazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidine (CID 161081174) is 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-b]carbazole;2-phenyl-4-(7-phenylindolo[2,3-b]carbazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-b]carbazole;2-phenyl-4-(7-phenylindolo[2,3-b]carbazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-b]carbazole;2-phenyl-4-(7-phenylindolo[2,3-b]carbazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidine is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc5c4sc4ccccc45)c3cc21.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c3sc4ccccc4c3n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)c3sc4ccccc4c3n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)c3sc4ccccc4c3n2)cc1.
What is the InChIKey of 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-b]carbazole;2-phenyl-4-(7-phenylindolo[2,3-b]carbazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is UFXWBFQUGFVHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4S.C37H25N3S.C34H19N3OS.C34H19N3S2/c1-3-13-25(14-4-1)39-41-37-29-19-9-12-22-36(29)45-38(37)40(42-39)44-33-21-11-8-18-28(33)31-23-30-27-17-7-10-20-32(27)43(34(30)24-35(31)44)26-15-5-2-6-16-26;1-37(2)28-17-9-6-14-23(28)26-20-27-24-15-7-10-18-30(24)40(31(27)21-29(26)37)36-34-33(25-16-8-11-19-32(25)41-34)38-35(39-36)22-12-4-3-5-13-22;1-2-10-20(11-3-1)33-35-31-23-14-6-9-17-30(23)39-32(31)34(36-33)37-26-15-7-4-12-21(26)24-18-25-22-13-5-8-16-28(22)38-29(25)19-27(24)37;1-2-10-20(11-3-1)33-35-31-23-14-6-9-17-29(23)39-32(31)34(36-33)37-26-15-7-4-12-21(26)24-18-25-22-13-5-8-16-28(22)38-30(25)19-27(24)37/h1-24H;3-21H,1-2H3;2*1-19H.
What are the key properties of 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-b]carbazole;2-phenyl-4-(7-phenylindolo[2,3-b]carbazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidine?
4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-b]carbazole;2-phenyl-4-(7-phenylindolo[2,3-b]carbazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 2187.72 g/mol, XLogP of 40.11, 9 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-b]carbazole;2-phenyl-4-(7-phenylindolo[2,3-b]carbazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 161081174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).