2-(7-benzo[b]carbazol-5-yldibenzofuran-3-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine

C48H27N3OS — CID 149384454

IUPAC2-(7-benzo[b]carbazol-5-yldibenzofuran-3-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc2cc(-c3nc(-c4ccc5c(c4)oc4cc(-n6c7ccccc7c7cc8ccccc8cc76)ccc45)nc4c3sc3ccccc34)ccc2c1
InChIInChI=1S/C48H27N3OS/c1-2-10-29-23-32(18-17-28(29)9-1)45-47-46(38-14-6-8-16-44(38)53-47)50-48(49-45)33-19-21-36-37-22-20-34(27-43(37)52-42(36)26-33)51-40-15-7-5-13-35(40)39-24-30-11-3-4-12-31(30)25-41(39)51/h1-27H
InChIKeyYMHOOFSJJXNCRA-UHFFFAOYSA-N
MW693.83 g/mol
LogP13.48
Rot. Bonds3

About 2-(7-benzo[b]carbazol-5-yldibenzofuran-3-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine

2-(7-benzo[b]carbazol-5-yldibenzofuran-3-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 149384454) has the molecular formula C48H27N3OS and a molecular weight of 693.83 g/mol. Its IUPAC name is 2-(7-benzo[b]carbazol-5-yldibenzofuran-3-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(7-benzo[b]carbazol-5-yldibenzofuran-3-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID149384454
Molecular FormulaC48H27N3OS
Molecular Weight693.83 g/mol
Exact Mass693.19
IUPAC Name2-(7-benzo[b]carbazol-5-yldibenzofuran-3-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc2cc(-c3nc(-c4ccc5c(c4)oc4cc(-n6c7ccccc7c7cc8ccccc8cc76)ccc45)nc4c3sc3ccccc34)ccc2c1
InChIInChI=1S/C48H27N3OS/c1-2-10-29-23-32(18-17-28(29)9-1)45-47-46(38-14-6-8-16-44(38)53-47)50-48(49-45)33-19-21-36-37-22-20-34(27-43(37)52-42(36)26-33)51-40-15-7-5-13-35(40)39-24-30-11-3-4-12-31(30)25-41(39)51/h1-27H
InChIKeyYMHOOFSJJXNCRA-UHFFFAOYSA-N
XLogP13.48
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.83
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(7-benzo[b]carbazol-5-yldibenzofuran-3-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine 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

2-(8-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 157477610
2-[7-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;11-[7-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[a]carbazole;5-[7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-11-phenylbenzo[b]carbazole;5-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 163823065
4-phenyl-2-[7-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 153090525
4-naphthalen-2-yl-2-[8-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 162501502
5-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 146491412
2-(1-benzo[b]carbazol-5-yldibenzofuran-3-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 164847833
11-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[3,2-b]carbazole
CID 164730323
2-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-3-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)benzonitrile;2-(5-benzo[b]carbazol-5-ylnaphthalen-1-yl)-4-dibenzofuran-3-yl-[1]benzothiolo[3,2-d]pyrimidine;5-[6-(4-dibenzofuran-3-yl-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 159297744
9-carbazol-9-yl-5-[7-(2-dibenzofuran-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375561
4-naphthalen-2-yl-2-[7-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 162501470
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-[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

Frequently Asked Questions

What is the IUPAC name of 2-(7-benzo[b]carbazol-5-yldibenzofuran-3-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 2-(7-benzo[b]carbazol-5-yldibenzofuran-3-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine (CID 149384454) is 2-(7-benzo[b]carbazol-5-yldibenzofuran-3-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-(7-benzo[b]carbazol-5-yldibenzofuran-3-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 2-(7-benzo[b]carbazol-5-yldibenzofuran-3-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine is c1ccc2cc(-c3nc(-c4ccc5c(c4)oc4cc(-n6c7ccccc7c7cc8ccccc8cc76)ccc45)nc4c3sc3ccccc34)ccc2c1.
What is the InChIKey of 2-(7-benzo[b]carbazol-5-yldibenzofuran-3-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is YMHOOFSJJXNCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27N3OS/c1-2-10-29-23-32(18-17-28(29)9-1)45-47-46(38-14-6-8-16-44(38)53-47)50-48(49-45)33-19-21-36-37-22-20-34(27-43(37)52-42(36)26-33)51-40-15-7-5-13-35(40)39-24-30-11-3-4-12-31(30)25-41(39)51/h1-27H.
What are the key properties of 2-(7-benzo[b]carbazol-5-yldibenzofuran-3-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine?
2-(7-benzo[b]carbazol-5-yldibenzofuran-3-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 693.83 g/mol, XLogP of 13.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-benzo[b]carbazol-5-yldibenzofuran-3-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 149384454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).