2-[3-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzothiazole;2-[4-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzoxazole;4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-[3-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine

C138H92N10O4S — CID 161006828

IUPAC2-[3-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzothiazole;2-[4-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzoxazole;4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-[3-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2nc(-c3ccc(-c4nc5ccccc5o4)cc3)nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c21.CC1(C)c2ccccc2-c2nc(-c3cccc(-c4nc5ccccc5n4-c4ccccc4)c3)nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c21.CC1(C)c2ccccc2-c2nc(-c3cccc(-c4nc5ccccc5s4)c3)nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c21
InChIInChI=1S/C50H34N4O.C44H29N3O2.C44H29N3OS/c1-50(2)40-25-8-6-22-39(40)46-44(50)45(32-16-12-15-31(29-32)36-23-14-24-38-37-21-7-11-28-43(37)55-47(36)38)52-48(53-46)33-17-13-18-34(30-33)49-51-41-26-9-10-27-42(41)54(49)35-19-4-3-5-20-35;1-44(2)34-17-5-3-14-33(34)40-38(44)39(46-42(47-40)26-21-23-27(24-22-26)43-45-35-18-6-8-20-37(35)49-43)29-12-9-11-28(25-29)30-15-10-16-32-31-13-4-7-19-36(31)48-41(30)32;1-44(2)34-20-5-3-17-33(34)40-38(44)39(46-42(47-40)28-14-10-15-29(25-28)43-45-35-21-6-8-23-37(35)49-43)27-13-9-12-26(24-27)30-18-11-19-32-31-16-4-7-22-36(31)48-41(30)32/h3-30H,1-2H3;2*3-25H,1-2H3
InChIKeyTWPNNYUWKRWBEN-UHFFFAOYSA-N
MW1986.39 g/mol
LogP36.14
Rot. Bonds13

About 2-[3-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzothiazole;2-[4-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzoxazole;4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-[3-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine

2-[3-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzothiazole;2-[4-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzoxazole;4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-[3-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine (PubChem CID 161006828) has the molecular formula C138H92N10O4S and a molecular weight of 1986.39 g/mol. Its IUPAC name is 2-[3-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzothiazole;2-[4-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzoxazole;4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-[3-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name2-[3-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzothiazole;2-[4-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzoxazole;4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-[3-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine
PubChem CID161006828
Molecular FormulaC138H92N10O4S
Molecular Weight1986.39 g/mol
Exact Mass1984.70
IUPAC Name2-[3-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzothiazole;2-[4-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzoxazole;4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-[3-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2nc(-c3ccc(-c4nc5ccccc5o4)cc3)nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c21.CC1(C)c2ccccc2-c2nc(-c3cccc(-c4nc5ccccc5n4-c4ccccc4)c3)nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c21.CC1(C)c2ccccc2-c2nc(-c3cccc(-c4nc5ccccc5s4)c3)nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c21
InChIInChI=1S/C50H34N4O.C44H29N3O2.C44H29N3OS/c1-50(2)40-25-8-6-22-39(40)46-44(50)45(32-16-12-15-31(29-32)36-23-14-24-38-37-21-7-11-28-43(37)55-47(36)38)52-48(53-46)33-17-13-18-34(30-33)49-51-41-26-9-10-27-42(41)54(49)35-19-4-3-5-20-35;1-44(2)34-17-5-3-14-33(34)40-38(44)39(46-42(47-40)26-21-23-27(24-22-26)43-45-35-18-6-8-20-37(35)49-43)29-12-9-11-28(25-29)30-15-10-16-32-31-13-4-7-19-36(31)48-41(30)32;1-44(2)34-20-5-3-17-33(34)40-38(44)39(46-42(47-40)28-14-10-15-29(25-28)43-45-35-21-6-8-23-37(35)49-43)27-13-9-12-26(24-27)30-18-11-19-32-31-16-4-7-22-36(31)48-41(30)32/h3-30H,1-2H3;2*3-25H,1-2H3
InChIKeyTWPNNYUWKRWBEN-UHFFFAOYSA-N
XLogP36.14
TPSA173.50 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001986.39
LogP ≤ 536.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-[3-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzothiazole;2-[4-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzoxazole;4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-[3-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine with MolForge

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Related Compounds

4-dibenzofuran-4-yl-5,5-dimethyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine
CID 118100161
4-(3-dibenzothiophen-4-ylphenyl)-5,5-dimethyl-2-[3-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine
CID 118100245
4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(4-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100260
2-(3-carbazol-9-ylphenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine;2-(3-carbazol-9-ylphenyl)-5,5-dimethyl-4-(3-phenylphenyl)indeno[1,2-d]pyrimidine;2-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine;2-(3-dibenzothiophen-4-ylphenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine
CID 159915916
4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
CID 118100294
4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5,5-dimethyl-2-(4-phenylphenyl)indeno[1,2-d]pyrimidine;4-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-5,5-dimethyl-2-(4-phenylphenyl)indeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine
CID 161246131
2-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-(3-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100083
3-[4,6-bis(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;9-[4-[4,6-bis(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]phenyl]carbazole;5-[4-dibenzofuran-4-yl-6-(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]-1,2-diphenylbenzimidazole;5-[4-dibenzothiophen-4-yl-6-(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]-1,2-diphenylbenzimidazole;5-[4-(9,9-dimethylfluoren-2-yl)-6-(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]-1,2-diphenylbenzimidazole;1,2-diphenyl-5-[4-[4-phenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 159852810
2-[3-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzothiazole
CID 158542008
2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzothiazole;2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzoxazole;6,10-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenanthridine;methane
CID 159000306
12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 158900614
4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100265

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzothiazole;2-[4-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzoxazole;4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-[3-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine?
The IUPAC name of 2-[3-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzothiazole;2-[4-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzoxazole;4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-[3-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine (CID 161006828) is 2-[3-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzothiazole;2-[4-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzoxazole;4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-[3-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine.
What is the SMILES notation for 2-[3-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzothiazole;2-[4-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzoxazole;4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-[3-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine?
The canonical SMILES for 2-[3-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzothiazole;2-[4-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzoxazole;4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-[3-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine is CC1(C)c2ccccc2-c2nc(-c3ccc(-c4nc5ccccc5o4)cc3)nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c21.CC1(C)c2ccccc2-c2nc(-c3cccc(-c4nc5ccccc5n4-c4ccccc4)c3)nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c21.CC1(C)c2ccccc2-c2nc(-c3cccc(-c4nc5ccccc5s4)c3)nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c21.
What is the InChIKey of 2-[3-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzothiazole;2-[4-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzoxazole;4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-[3-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine?
The InChIKey is TWPNNYUWKRWBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4O.C44H29N3O2.C44H29N3OS/c1-50(2)40-25-8-6-22-39(40)46-44(50)45(32-16-12-15-31(29-32)36-23-14-24-38-37-21-7-11-28-43(37)55-47(36)38)52-48(53-46)33-17-13-18-34(30-33)49-51-41-26-9-10-27-42(41)54(49)35-19-4-3-5-20-35;1-44(2)34-17-5-3-14-33(34)40-38(44)39(46-42(47-40)26-21-23-27(24-22-26)43-45-35-18-6-8-20-37(35)49-43)29-12-9-11-28(25-29)30-15-10-16-32-31-13-4-7-19-36(31)48-41(30)32;1-44(2)34-20-5-3-17-33(34)40-38(44)39(46-42(47-40)28-14-10-15-29(25-28)43-45-35-21-6-8-23-37(35)49-43)27-13-9-12-26(24-27)30-18-11-19-32-31-16-4-7-22-36(31)48-41(30)32/h3-30H,1-2H3;2*3-25H,1-2H3.
What are the key properties of 2-[3-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzothiazole;2-[4-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzoxazole;4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-[3-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine?
2-[3-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzothiazole;2-[4-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzoxazole;4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-[3-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine has a molecular weight of 1986.39 g/mol, XLogP of 36.14, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzothiazole;2-[4-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzoxazole;4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-[3-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine is sourced from PubChem (CID 161006828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).