2-carbazol-9-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine

C28H17N3S — CID 118232385

IUPAC2-carbazol-9-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc3c2sc2ccccc23)cc1
InChIInChI=1S/C28H17N3S/c1-2-10-18(11-3-1)25-27-26(21-14-6-9-17-24(21)32-27)30-28(29-25)31-22-15-7-4-12-19(22)20-13-5-8-16-23(20)31/h1-17H
InChIKeyAFBRIBSITVUECO-UHFFFAOYSA-N
MW427.53 g/mol
LogP7.61
Rot. Bonds2

About 2-carbazol-9-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine

2-carbazol-9-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 118232385) has the molecular formula C28H17N3S and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-carbazol-9-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-carbazol-9-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID118232385
Molecular FormulaC28H17N3S
Molecular Weight427.53 g/mol
Exact Mass427.11
IUPAC Name2-carbazol-9-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc3c2sc2ccccc23)cc1
InChIInChI=1S/C28H17N3S/c1-2-10-18(11-3-1)25-27-26(21-14-6-9-17-24(21)32-27)30-28(29-25)31-22-15-7-4-12-19(22)20-13-5-8-16-23(20)31/h1-17H
InChIKeyAFBRIBSITVUECO-UHFFFAOYSA-N
XLogP7.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.53
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzo[c]carbazol-7-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 166849685
2-(2-dibenzothiophen-4-ylcarbazol-9-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 163932930
2-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 139551257
12-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-a]carbazole
CID 129224804
2-(11-phenylindolo[2,3-a]carbazol-12-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 134369832
16-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
CID 126718641
2-(22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaen-22-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154597902
2-carbazol-9-yl-4-[3-(2-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 177271578
2-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 163876771
11-[4-(3,5-diphenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-[1]benzothiolo[3,2-b]carbazole;11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 160535633
2-carbazol-9-yl-4-[2-(4-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 177271655
2-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978453

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 2-carbazol-9-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine (CID 118232385) is 2-carbazol-9-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-carbazol-9-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 2-carbazol-9-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine is c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc3c2sc2ccccc23)cc1.
What is the InChIKey of 2-carbazol-9-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is AFBRIBSITVUECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17N3S/c1-2-10-18(11-3-1)25-27-26(21-14-6-9-17-24(21)32-27)30-28(29-25)31-22-15-7-4-12-19(22)20-13-5-8-16-23(20)31/h1-17H.
What are the key properties of 2-carbazol-9-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
2-carbazol-9-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 427.53 g/mol, XLogP of 7.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 118232385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).