2-carbazol-9-yl-4-(3,5-diphenylphenyl)-1,4-dihydrothieno[3,2-d]pyrimidine

C36H25N3S — CID 144816175

IUPAC2-carbazol-9-yl-4-(3,5-diphenylphenyl)-1,4-dihydrothieno[3,2-d]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(C3N=C(n4c5ccccc5c5ccccc54)Nc4ccsc43)c2)cc1
InChIInChI=1S/C36H25N3S/c1-3-11-24(12-4-1)26-21-27(25-13-5-2-6-14-25)23-28(22-26)34-35-31(19-20-40-35)37-36(38-34)39-32-17-9-7-15-29(32)30-16-8-10-18-33(30)39/h1-23,34H,(H,37,38)
InChIKeyUEVGYAXCHHEVNQ-UHFFFAOYSA-N
MW531.68 g/mol
LogP9.61
Rot. Bonds3

About 2-carbazol-9-yl-4-(3,5-diphenylphenyl)-1,4-dihydrothieno[3,2-d]pyrimidine

2-carbazol-9-yl-4-(3,5-diphenylphenyl)-1,4-dihydrothieno[3,2-d]pyrimidine (PubChem CID 144816175) has the molecular formula C36H25N3S and a molecular weight of 531.68 g/mol. Its IUPAC name is 2-carbazol-9-yl-4-(3,5-diphenylphenyl)-1,4-dihydrothieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-carbazol-9-yl-4-(3,5-diphenylphenyl)-1,4-dihydrothieno[3,2-d]pyrimidine
PubChem CID144816175
Molecular FormulaC36H25N3S
Molecular Weight531.68 g/mol
Exact Mass531.18
IUPAC Name2-carbazol-9-yl-4-(3,5-diphenylphenyl)-1,4-dihydrothieno[3,2-d]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(C3N=C(n4c5ccccc5c5ccccc54)Nc4ccsc43)c2)cc1
InChIInChI=1S/C36H25N3S/c1-3-11-24(12-4-1)26-21-27(25-13-5-2-6-14-25)23-28(22-26)34-35-31(19-20-40-35)37-36(38-34)39-32-17-9-7-15-29(32)30-16-8-10-18-33(30)39/h1-23,34H,(H,37,38)
InChIKeyUEVGYAXCHHEVNQ-UHFFFAOYSA-N
XLogP9.61
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.68
LogP ≤ 59.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzo[b]carbazol-5-yl-4-(4-phenylphenyl)-1,4-dihydro-[1]benzothiolo[3,2-d]pyrimidine
CID 166867482
9-(3,5-diphenylphenyl)carbazole
CID 86068368
2-benzo[b]carbazol-5-yl-4-(4-phenylphenyl)-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine
CID 166945382
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
9-[4-(3,5-diphenylphenyl)-7,7-dimethyl-4H-cyclopenta[d]pyrimidin-3-id-2-yl]carbazole
CID 144816378
9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159046230
9-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 118595106
19-[4-(3-pyrimidin-2-ylphenyl)-1,4-dihydroquinazolin-2-yl]-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene
CID 129223668
9-[4-carbazol-9-yl-6-[4-[3-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-5-(3,5-diphenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 58943291
9-[4-carbazol-9-yl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742447
9-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]carbazole
CID 59194567

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-4-(3,5-diphenylphenyl)-1,4-dihydrothieno[3,2-d]pyrimidine?
The IUPAC name of 2-carbazol-9-yl-4-(3,5-diphenylphenyl)-1,4-dihydrothieno[3,2-d]pyrimidine (CID 144816175) is 2-carbazol-9-yl-4-(3,5-diphenylphenyl)-1,4-dihydrothieno[3,2-d]pyrimidine.
What is the SMILES notation for 2-carbazol-9-yl-4-(3,5-diphenylphenyl)-1,4-dihydrothieno[3,2-d]pyrimidine?
The canonical SMILES for 2-carbazol-9-yl-4-(3,5-diphenylphenyl)-1,4-dihydrothieno[3,2-d]pyrimidine is c1ccc(-c2cc(-c3ccccc3)cc(C3N=C(n4c5ccccc5c5ccccc54)Nc4ccsc43)c2)cc1.
What is the InChIKey of 2-carbazol-9-yl-4-(3,5-diphenylphenyl)-1,4-dihydrothieno[3,2-d]pyrimidine?
The InChIKey is UEVGYAXCHHEVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3S/c1-3-11-24(12-4-1)26-21-27(25-13-5-2-6-14-25)23-28(22-26)34-35-31(19-20-40-35)37-36(38-34)39-32-17-9-7-15-29(32)30-16-8-10-18-33(30)39/h1-23,34H,(H,37,38).
What are the key properties of 2-carbazol-9-yl-4-(3,5-diphenylphenyl)-1,4-dihydrothieno[3,2-d]pyrimidine?
2-carbazol-9-yl-4-(3,5-diphenylphenyl)-1,4-dihydrothieno[3,2-d]pyrimidine has a molecular weight of 531.68 g/mol, XLogP of 9.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-4-(3,5-diphenylphenyl)-1,4-dihydrothieno[3,2-d]pyrimidine is sourced from PubChem (CID 144816175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).