4-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-5,5-dimethyl-2-(4-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine

C48H33N3S — CID 118100320

IUPAC4-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-5,5-dimethyl-2-(4-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3cccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c3)c21
InChIInChI=1S/C48H33N3S/c1-48(2)41-17-5-3-16-39(41)46-44(48)45(50-47(51-46)31-21-19-30(20-22-31)37-14-9-25-49-29-37)36-13-8-12-34(27-36)32-10-7-11-33(26-32)35-23-24-43-40(28-35)38-15-4-6-18-42(38)52-43/h3-29H,1-2H3
InChIKeyVZAYNKVCVPNYSZ-UHFFFAOYSA-N
MW683.88 g/mol
LogP12.88
Rot. Bonds5

About 4-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-5,5-dimethyl-2-(4-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine

4-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-5,5-dimethyl-2-(4-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine (PubChem CID 118100320) has the molecular formula C48H33N3S and a molecular weight of 683.88 g/mol. Its IUPAC name is 4-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-5,5-dimethyl-2-(4-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-5,5-dimethyl-2-(4-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine
PubChem CID118100320
Molecular FormulaC48H33N3S
Molecular Weight683.88 g/mol
Exact Mass683.24
IUPAC Name4-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-5,5-dimethyl-2-(4-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3cccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c3)c21
InChIInChI=1S/C48H33N3S/c1-48(2)41-17-5-3-16-39(41)46-44(48)45(50-47(51-46)31-21-19-30(20-22-31)37-14-9-25-49-29-37)36-13-8-12-34(27-36)32-10-7-11-33(26-32)35-23-24-43-40(28-35)38-15-4-6-18-42(38)52-43/h3-29H,1-2H3
InChIKeyVZAYNKVCVPNYSZ-UHFFFAOYSA-N
XLogP12.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.88
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-5,5-dimethyl-2-(4-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-dibenzothiophen-2-ylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130262677
5,5-dimethyl-4-[3-(3-phenanthren-9-ylphenyl)phenyl]-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100309
4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
CID 118100295
4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171585774
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130263493
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
4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-phenylpyrimidine
CID 171583404
4-[3-dibenzothiophen-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585075
4-[3-dibenzothiophen-2-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 171582951
2-(3-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 158464749
4-dibenzofuran-4-yl-5,5-dimethyl-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100159
4-(3-carbazol-9-ylphenyl)-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;4-(3-carbazol-9-ylphenyl)-5,5-dimethyl-2-(4-pyridin-2-ylphenyl)indeno[1,2-d]pyrimidine;4-(3-carbazol-9-ylphenyl)-5,5-dimethyl-2-(4-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine
CID 160617282

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-5,5-dimethyl-2-(4-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine?
The IUPAC name of 4-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-5,5-dimethyl-2-(4-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine (CID 118100320) is 4-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-5,5-dimethyl-2-(4-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine.
What is the SMILES notation for 4-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-5,5-dimethyl-2-(4-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine?
The canonical SMILES for 4-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-5,5-dimethyl-2-(4-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine is CC1(C)c2ccccc2-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3cccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c3)c21.
What is the InChIKey of 4-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-5,5-dimethyl-2-(4-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine?
The InChIKey is VZAYNKVCVPNYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3S/c1-48(2)41-17-5-3-16-39(41)46-44(48)45(50-47(51-46)31-21-19-30(20-22-31)37-14-9-25-49-29-37)36-13-8-12-34(27-36)32-10-7-11-33(26-32)35-23-24-43-40(28-35)38-15-4-6-18-42(38)52-43/h3-29H,1-2H3.
What are the key properties of 4-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-5,5-dimethyl-2-(4-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine?
4-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-5,5-dimethyl-2-(4-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine has a molecular weight of 683.88 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-5,5-dimethyl-2-(4-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine is sourced from PubChem (CID 118100320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).