9-[3-(4-dibenzothiophen-4-yl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-pyridin-3-ylphenyl]carbazole

C45H30N4S — CID 154950121

IUPAC9-[3-(4-dibenzothiophen-4-yl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-pyridin-3-ylphenyl]carbazole
SMILESc1ccc(C2=NC(c3cccc4c3sc3ccccc34)CC(c3cc(-c4cccnc4)cc(-n4c5ccccc5c5ccccc54)c3)=N2)cc1
InChIInChI=1S/C45H30N4S/c1-2-12-29(13-3-1)45-47-39(27-40(48-45)38-19-10-18-37-36-17-6-9-22-43(36)50-44(37)38)32-24-31(30-14-11-23-46-28-30)25-33(26-32)49-41-20-7-4-15-34(41)35-16-5-8-21-42(35)49/h1-26,28,40H,27H2
InChIKeyVXIYWAPJVIQZLC-UHFFFAOYSA-N
MW658.83 g/mol
LogP11.59
Rot. Bonds5

About 9-[3-(4-dibenzothiophen-4-yl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-pyridin-3-ylphenyl]carbazole

9-[3-(4-dibenzothiophen-4-yl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-pyridin-3-ylphenyl]carbazole (PubChem CID 154950121) has the molecular formula C45H30N4S and a molecular weight of 658.83 g/mol. Its IUPAC name is 9-[3-(4-dibenzothiophen-4-yl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-pyridin-3-ylphenyl]carbazole.

Molecular Properties

Compound Name9-[3-(4-dibenzothiophen-4-yl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-pyridin-3-ylphenyl]carbazole
PubChem CID154950121
Molecular FormulaC45H30N4S
Molecular Weight658.83 g/mol
Exact Mass658.22
IUPAC Name9-[3-(4-dibenzothiophen-4-yl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-pyridin-3-ylphenyl]carbazole
SMILESc1ccc(C2=NC(c3cccc4c3sc3ccccc34)CC(c3cc(-c4cccnc4)cc(-n4c5ccccc5c5ccccc54)c3)=N2)cc1
InChIInChI=1S/C45H30N4S/c1-2-12-29(13-3-1)45-47-39(27-40(48-45)38-19-10-18-37-36-17-6-9-22-43(36)50-44(37)38)32-24-31(30-14-11-23-46-28-30)25-33(26-32)49-41-20-7-4-15-34(41)35-16-5-8-21-42(35)49/h1-26,28,40H,27H2
InChIKeyVXIYWAPJVIQZLC-UHFFFAOYSA-N
XLogP11.59
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.83
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[3-(4-dibenzothiophen-4-yl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-pyridin-3-ylphenyl]carbazole 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-carbazol-9-yl-5-[2-dibenzothiophen-4-yl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 121422984
9-[3-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)-5-pyridin-3-ylphenyl]carbazole
CID 154950092
12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 118502961
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
12-dibenzothiophen-4-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole
CID 171414814
9-dibenzothiophen-4-yl-6-[9-(3,5-diphenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole
CID 146187552
3-dibenzothiophen-4-yl-9-(4,6-diphenyl-4,5-dihydropyrimidin-2-yl)carbazole
CID 90132024
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]carbazole;9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[3-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158652173
6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridine
CID 59413694
12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 170407101
3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole
CID 71005186
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-dibenzothiophen-4-yl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-pyridin-3-ylphenyl]carbazole?
The IUPAC name of 9-[3-(4-dibenzothiophen-4-yl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-pyridin-3-ylphenyl]carbazole (CID 154950121) is 9-[3-(4-dibenzothiophen-4-yl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-pyridin-3-ylphenyl]carbazole.
What is the SMILES notation for 9-[3-(4-dibenzothiophen-4-yl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-pyridin-3-ylphenyl]carbazole?
The canonical SMILES for 9-[3-(4-dibenzothiophen-4-yl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-pyridin-3-ylphenyl]carbazole is c1ccc(C2=NC(c3cccc4c3sc3ccccc34)CC(c3cc(-c4cccnc4)cc(-n4c5ccccc5c5ccccc54)c3)=N2)cc1.
What is the InChIKey of 9-[3-(4-dibenzothiophen-4-yl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-pyridin-3-ylphenyl]carbazole?
The InChIKey is VXIYWAPJVIQZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4S/c1-2-12-29(13-3-1)45-47-39(27-40(48-45)38-19-10-18-37-36-17-6-9-22-43(36)50-44(37)38)32-24-31(30-14-11-23-46-28-30)25-33(26-32)49-41-20-7-4-15-34(41)35-16-5-8-21-42(35)49/h1-26,28,40H,27H2.
What are the key properties of 9-[3-(4-dibenzothiophen-4-yl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-pyridin-3-ylphenyl]carbazole?
9-[3-(4-dibenzothiophen-4-yl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-pyridin-3-ylphenyl]carbazole has a molecular weight of 658.83 g/mol, XLogP of 11.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-dibenzothiophen-4-yl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-pyridin-3-ylphenyl]carbazole is sourced from PubChem (CID 154950121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).