9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-ethenylcarbazole

C36H25N3 — CID 59629845

IUPAC9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-ethenylcarbazole
SMILESC=Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C36H25N3/c1-2-25-20-21-35-31(22-25)30-18-9-10-19-34(30)39(35)29-17-11-16-28(23-29)33-24-32(26-12-5-3-6-13-26)37-36(38-33)27-14-7-4-8-15-27/h2-24H,1H2
InChIKeyMHVGUECLNSYIDT-UHFFFAOYSA-N
MW499.62 g/mol
LogP9.22
Rot. Bonds5

About 9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-ethenylcarbazole

9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-ethenylcarbazole (PubChem CID 59629845) has the molecular formula C36H25N3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-ethenylcarbazole.

Molecular Properties

Compound Name9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-ethenylcarbazole
PubChem CID59629845
Molecular FormulaC36H25N3
Molecular Weight499.62 g/mol
Exact Mass499.20
IUPAC Name9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-ethenylcarbazole
SMILESC=Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C36H25N3/c1-2-25-20-21-35-31(22-25)30-18-9-10-19-34(30)39(35)29-17-11-16-28(23-29)33-24-32(26-12-5-3-6-13-26)37-36(38-33)27-14-7-4-8-15-27/h2-24H,1H2
InChIKeyMHVGUECLNSYIDT-UHFFFAOYSA-N
XLogP9.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-ethenylcarbazole 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

9-[3-[4,6-bis(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-5-ethenylphenyl]carbazole
CID 59629810
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 159465989
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630575
9-[3-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-4-ethenylcarbazole
CID 59629815
9-[3-[2-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632710
9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 164822819
9-[3-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazole;9-[3-[2-[3-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[3-[4-[3-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 161143543
3-ethenyl-9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 139518160
9-[3-[4-[2-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 159741626
9-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 118901401
2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 159883795
bis(3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole);2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 157084696

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-ethenylcarbazole?
The IUPAC name of 9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-ethenylcarbazole (CID 59629845) is 9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-ethenylcarbazole.
What is the SMILES notation for 9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-ethenylcarbazole?
The canonical SMILES for 9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-ethenylcarbazole is C=Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-ethenylcarbazole?
The InChIKey is MHVGUECLNSYIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3/c1-2-25-20-21-35-31(22-25)30-18-9-10-19-34(30)39(35)29-17-11-16-28(23-29)33-24-32(26-12-5-3-6-13-26)37-36(38-33)27-14-7-4-8-15-27/h2-24H,1H2.
What are the key properties of 9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-ethenylcarbazole?
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-ethenylcarbazole has a molecular weight of 499.62 g/mol, XLogP of 9.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-ethenylcarbazole is sourced from PubChem (CID 59629845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).