2-[7-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine

C56H33N3OS — CID 162501414

IUPAC2-[7-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5oc6cc(-n7c8ccc(-c9ccccc9)cc8c8c9ccccc9ccc87)ccc6c45)nc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C56H33N3OS/c1-3-12-34(13-4-1)36-22-24-38(25-23-36)53-55-54(43-18-9-10-21-50(43)61-55)58-56(57-53)44-19-11-20-48-52(44)42-29-28-40(33-49(42)60-48)59-46-30-27-39(35-14-5-2-6-15-35)32-45(46)51-41-17-8-7-16-37(41)26-31-47(51)59/h1-33H
InChIKeyZBZOMFHPDYRPEM-UHFFFAOYSA-N
MW795.97 g/mol
LogP15.66
Rot. Bonds5

About 2-[7-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine

2-[7-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 162501414) has the molecular formula C56H33N3OS and a molecular weight of 795.97 g/mol. Its IUPAC name is 2-[7-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[7-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID162501414
Molecular FormulaC56H33N3OS
Molecular Weight795.97 g/mol
Exact Mass795.23
IUPAC Name2-[7-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5oc6cc(-n7c8ccc(-c9ccccc9)cc8c8c9ccccc9ccc87)ccc6c45)nc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C56H33N3OS/c1-3-12-34(13-4-1)36-22-24-38(25-23-36)53-55-54(43-18-9-10-21-50(43)61-55)58-56(57-53)44-19-11-20-48-52(44)42-29-28-40(33-49(42)60-48)59-46-30-27-39(35-14-5-2-6-15-35)32-45(46)51-41-17-8-7-16-37(41)26-31-47(51)59/h1-33H
InChIKeyZBZOMFHPDYRPEM-UHFFFAOYSA-N
XLogP15.66
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.97
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-naphthalen-2-yl-2-[7-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 162501470
4-phenyl-2-[7-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 153090525
2-(7-benzo[a]carbazol-11-yldibenzofuran-1-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[7-(5,10-diphenylbenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[7-(5-phenylbenzo[a]carbazol-11-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[7-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 163798212
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-(4-phenylphenyl)-2-(7-triphenylen-2-yldibenzofuran-1-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 170091347
4-naphthalen-2-yl-2-[8-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 162501502
4-phenyl-2-[6-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 162501348
7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-10-phenylbenzo[c]carbazole
CID 146491044
2-(6-benzo[c]carbazol-7-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 146491011
2-[7-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),19-nonaen-12-yl)dibenzofuran-1-yl]-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 146491470
2-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978542
2-[7-(3,5-diphenylphenyl)dibenzofuran-1-yl]-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 177129854

Frequently Asked Questions

What is the IUPAC name of 2-[7-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 2-[7-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine (CID 162501414) is 2-[7-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-[7-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 2-[7-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine is c1ccc(-c2ccc(-c3nc(-c4cccc5oc6cc(-n7c8ccc(-c9ccccc9)cc8c8c9ccccc9ccc87)ccc6c45)nc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of 2-[7-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is ZBZOMFHPDYRPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N3OS/c1-3-12-34(13-4-1)36-22-24-38(25-23-36)53-55-54(43-18-9-10-21-50(43)61-55)58-56(57-53)44-19-11-20-48-52(44)42-29-28-40(33-49(42)60-48)59-46-30-27-39(35-14-5-2-6-15-35)32-45(46)51-41-17-8-7-16-37(41)26-31-47(51)59/h1-33H.
What are the key properties of 2-[7-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine?
2-[7-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 795.97 g/mol, XLogP of 15.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 162501414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).