4-(3-dibenzothiophen-3-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine

C52H34N2S — CID 171603496

IUPAC4-(3-dibenzothiophen-3-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3cc(-c4cccc(-c5ccc6c(c5)sc5ccccc56)c4)nc(-c4ccc5ccccc5c4)n3)cc21
InChIInChI=1S/C52H34N2S/c1-52(40-16-3-2-4-17-40)45-20-9-7-18-41(45)42-26-25-38(30-46(42)52)48-32-47(53-51(54-48)39-23-22-33-12-5-6-13-34(33)29-39)37-15-11-14-35(28-37)36-24-27-44-43-19-8-10-21-49(43)55-50(44)31-36/h2-32H,1H3
InChIKeyIEHHAOVPKVKDCU-UHFFFAOYSA-N
MW718.93 g/mol
LogP14.00
Rot. Bonds5

About 4-(3-dibenzothiophen-3-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine

4-(3-dibenzothiophen-3-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine (PubChem CID 171603496) has the molecular formula C52H34N2S and a molecular weight of 718.93 g/mol. Its IUPAC name is 4-(3-dibenzothiophen-3-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine.

Molecular Properties

Compound Name4-(3-dibenzothiophen-3-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
PubChem CID171603496
Molecular FormulaC52H34N2S
Molecular Weight718.93 g/mol
Exact Mass718.24
IUPAC Name4-(3-dibenzothiophen-3-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3cc(-c4cccc(-c5ccc6c(c5)sc5ccccc56)c4)nc(-c4ccc5ccccc5c4)n3)cc21
InChIInChI=1S/C52H34N2S/c1-52(40-16-3-2-4-17-40)45-20-9-7-18-41(45)42-26-25-38(30-46(42)52)48-32-47(53-51(54-48)39-23-22-33-12-5-6-13-34(33)29-39)37-15-11-14-35(28-37)36-24-27-44-43-19-8-10-21-49(43)55-50(44)31-36/h2-32H,1H3
InChIKeyIEHHAOVPKVKDCU-UHFFFAOYSA-N
XLogP14.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.93
LogP ≤ 514.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-dibenzothiophen-3-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine 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-3-ylphenyl)-6-[3-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603806
4-[3,5-di(dibenzothiophen-3-yl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603659
4-[4-(2-dibenzothiophen-3-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603479
4-(4-dibenzothiophen-3-ylphenyl)-6-[3-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171602759
4-(9-methyl-9-phenylfluoren-2-yl)-6-(3-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-2-phenylpyrimidine
CID 171603078
4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171602791
4-(3-dibenzothiophen-3-ylphenyl)-6-(9-methyl-5,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603537
4-dibenzothiophen-2-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171602877
4-(3-dibenzothiophen-1-ylphenyl)-6-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171602365
4-(3-dibenzothiophen-2-ylphenyl)-6-[3-(9-methylfluoren-9-yl)phenyl]-2-phenylpyrimidine
CID 171603184
4-[4-(4-dibenzothiophen-2-ylnaphthalen-1-yl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603377
4-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603602

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzothiophen-3-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine?
The IUPAC name of 4-(3-dibenzothiophen-3-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine (CID 171603496) is 4-(3-dibenzothiophen-3-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine.
What is the SMILES notation for 4-(3-dibenzothiophen-3-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine?
The canonical SMILES for 4-(3-dibenzothiophen-3-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine is CC1(c2ccccc2)c2ccccc2-c2ccc(-c3cc(-c4cccc(-c5ccc6c(c5)sc5ccccc56)c4)nc(-c4ccc5ccccc5c4)n3)cc21.
What is the InChIKey of 4-(3-dibenzothiophen-3-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine?
The InChIKey is IEHHAOVPKVKDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S/c1-52(40-16-3-2-4-17-40)45-20-9-7-18-41(45)42-26-25-38(30-46(42)52)48-32-47(53-51(54-48)39-23-22-33-12-5-6-13-34(33)29-39)37-15-11-14-35(28-37)36-24-27-44-43-19-8-10-21-49(43)55-50(44)31-36/h2-32H,1H3.
What are the key properties of 4-(3-dibenzothiophen-3-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine?
4-(3-dibenzothiophen-3-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine has a molecular weight of 718.93 g/mol, XLogP of 14.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzothiophen-3-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine is sourced from PubChem (CID 171603496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).