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

C153H107N7OS — CID 161246131

About 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

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 (PubChem CID 161246131) has the molecular formula C153H107N7OS and a molecular weight of 2091.65 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161246131
• Molecular Formula: C153H107N7OS
• Molecular Weight: 2091.65 g/mol
• Exact Mass: 2089.83
• IUPAC Name: 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
• SMILES: CC1(C)c2ccccc2-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c3)c21.CC1(C)c2ccccc2-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c3)c21.CC1(C)c2ccccc2-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c3)c21
• InChI: InChI=1S/C55H39N3.C49H34N2O.C49H34N2S/c1-55(2)48-28-11-9-27-46(48)53-51(55)52(56-54(57-53)43-23-15-18-37(34-43)36-16-5-3-6-17-36)42-22-14-21-40(33-42)38-19-13-20-39(32-38)41-30-31-50-47(35-41)45-26-10-12-29-49(45)58(50)44-24-7-4-8-25-44;2*1-49(2)42-20-8-6-19-40(42)47-45(49)46(50-48(51-47)33-24-22-32(23-25-33)31-12-4-3-5-13-31)38-17-11-16-36(29-38)34-14-10-15-35(28-34)37-26-27-44-41(30-37)39-18-7-9-21-43(39)52-44/h3-35H,1-2H3;2*3-30H,1-2H3
• InChIKey: VAQYKMVLIFZELQ-UHFFFAOYSA-N
• XLogP: 40.72
• TPSA: 95.41 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2091.65
LogP ≤ 5	40.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC1(C)c2ccccc2-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c3)c21.CC1(C)c2ccccc2-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c3)c21.CC1(C)c2ccccc2-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c3)c21.

What is the InChIKey of 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?

The InChIKey is VAQYKMVLIFZELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N3.C49H34N2O.C49H34N2S/c1-55(2)48-28-11-9-27-46(48)53-51(55)52(56-54(57-53)43-23-15-18-37(34-43)36-16-5-3-6-17-36)42-22-14-21-40(33-42)38-19-13-20-39(32-38)41-30-31-50-47(35-41)45-26-10-12-29-49(45)58(50)44-24-7-4-8-25-44;2*1-49(2)42-20-8-6-19-40(42)47-45(49)46(50-48(51-47)33-24-22-32(23-25-33)31-12-4-3-5-13-31)38-17-11-16-36(29-38)34-14-10-15-35(28-34)37-26-27-44-41(30-37)39-18-7-9-21-43(39)52-44/h3-35H,1-2H3;2*3-30H,1-2H3.

What are the key properties of 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?

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 has a molecular weight of 2091.65 g/mol, XLogP of 40.72, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161246131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).