11-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[3,2-b]carbazole

C40H23N3OS — CID 164730323

IUPAC11-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)c3sc4cc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)ccc4c3n2)cc1
InChIInChI=1S/C40H23N3OS/c1-3-11-24(12-4-1)37-39-38(42-40(41-37)25-13-5-2-6-14-25)29-20-19-26(21-36(29)45-39)43-32-17-9-7-15-27(32)30-23-35-31(22-33(30)43)28-16-8-10-18-34(28)44-35/h1-23H
InChIKeyVSIKXBGECDXQLV-UHFFFAOYSA-N
MW593.71 g/mol
LogP11.18
Rot. Bonds3

About 11-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[3,2-b]carbazole

11-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[3,2-b]carbazole (PubChem CID 164730323) has the molecular formula C40H23N3OS and a molecular weight of 593.71 g/mol. Its IUPAC name is 11-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[3,2-b]carbazole
PubChem CID164730323
Molecular FormulaC40H23N3OS
Molecular Weight593.71 g/mol
Exact Mass593.16
IUPAC Name11-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)c3sc4cc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)ccc4c3n2)cc1
InChIInChI=1S/C40H23N3OS/c1-3-11-24(12-4-1)37-39-38(42-40(41-37)25-13-5-2-6-14-25)29-20-19-26(21-36(29)45-39)43-32-17-9-7-15-27(32)30-23-35-31(22-33(30)43)28-16-8-10-18-34(28)44-35/h1-23H
InChIKeyVSIKXBGECDXQLV-UHFFFAOYSA-N
XLogP11.18
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.71
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[3,2-b]carbazole with MolForge

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Related Compounds

2-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978555
2-(4-carbazol-9-ylphenyl)-4,7-diphenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 163953353
2,4-diphenyl-7-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-7-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 165085004
8-(3-carbazol-9-ylcarbazol-9-yl)-2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 146606246
2-[7-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978273
4-phenyl-2-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 130333899
2-(7-benzo[b]carbazol-5-yldibenzofuran-3-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 149384454
2-[7-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978299
2,4-diphenyl-7-(5-phenylindolo[3,2-c]carbazol-12-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 164730465
6,20-diphenyl-8-triphenylen-2-yl-10-thia-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 176726043
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 159253152
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole
CID 169010999

Frequently Asked Questions

What is the IUPAC name of 11-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[3,2-b]carbazole (CID 164730323) is 11-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3)c3sc4cc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)ccc4c3n2)cc1.
What is the InChIKey of 11-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[3,2-b]carbazole?
The InChIKey is VSIKXBGECDXQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N3OS/c1-3-11-24(12-4-1)37-39-38(42-40(41-37)25-13-5-2-6-14-25)29-20-19-26(21-36(29)45-39)43-32-17-9-7-15-27(32)30-23-35-31(22-33(30)43)28-16-8-10-18-34(28)44-35/h1-23H.
What are the key properties of 11-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[3,2-b]carbazole?
11-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[3,2-b]carbazole has a molecular weight of 593.71 g/mol, XLogP of 11.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 164730323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).