4-dibenzofuran-2-yl-10-(4-dibenzofuran-2-ylphenyl)-7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

C44H25NO2S2 — CID 90078335

IUPAC4-dibenzofuran-2-yl-10-(4-dibenzofuran-2-ylphenyl)-7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESc1ccc(-n2c3cc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)sc3c3sc(-c4ccc5oc6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C44H25NO2S2/c1-2-8-30(9-3-1)45-35-24-41(27-16-14-26(15-17-27)28-18-20-39-33(22-28)31-10-4-6-12-37(31)46-39)48-43(35)44-36(45)25-42(49-44)29-19-21-40-34(23-29)32-11-5-7-13-38(32)47-40/h1-25H
InChIKeyUVGXAZSXGJPEDR-UHFFFAOYSA-N
MW663.82 g/mol
LogP13.71
Rot. Bonds4

About 4-dibenzofuran-2-yl-10-(4-dibenzofuran-2-ylphenyl)-7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

4-dibenzofuran-2-yl-10-(4-dibenzofuran-2-ylphenyl)-7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (PubChem CID 90078335) has the molecular formula C44H25NO2S2 and a molecular weight of 663.82 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-10-(4-dibenzofuran-2-ylphenyl)-7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-10-(4-dibenzofuran-2-ylphenyl)-7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
PubChem CID90078335
Molecular FormulaC44H25NO2S2
Molecular Weight663.82 g/mol
Exact Mass663.13
IUPAC Name4-dibenzofuran-2-yl-10-(4-dibenzofuran-2-ylphenyl)-7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESc1ccc(-n2c3cc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)sc3c3sc(-c4ccc5oc6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C44H25NO2S2/c1-2-8-30(9-3-1)45-35-24-41(27-16-14-26(15-17-27)28-18-20-39-33(22-28)31-10-4-6-12-37(31)46-39)48-43(35)44-36(45)25-42(49-44)29-19-21-40-34(23-29)32-11-5-7-13-38(32)47-40/h1-25H
InChIKeyUVGXAZSXGJPEDR-UHFFFAOYSA-N
XLogP13.71
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-dibenzofuran-2-yl-10-(4-dibenzofuran-2-ylphenyl)-7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene with MolForge

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Related Compounds

5-[7-Tert-butyl-10-(4-methoxyphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]thiophene-2-carbaldehyde
CID 118713193
6-Dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole
CID 146368869
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135461
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135572
3-Dibenzofuran-2-yl-6-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-9-phenylcarbazole
CID 53491596
9-[8-[3-(3-Dibenzofuran-2-ylphenyl)phenyl]dibenzothiophen-2-yl]carbazole
CID 57544057
9-[3-[3-(3-Dibenzofuran-2-ylphenyl)-5-dibenzothiophen-2-ylphenyl]phenyl]carbazole
CID 57544199
9-(3-Dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)carbazole
CID 57544206
N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-yl-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline
CID 57610423
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-amine
CID 57610462
9-[8-[8-(8-Carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
CID 57653808
9-[8-[8-(8-Carbazol-9-yldibenzofuran-2-yl)dibenzothiophen-2-yl]dibenzofuran-2-yl]carbazole
CID 57958224

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-10-(4-dibenzofuran-2-ylphenyl)-7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The IUPAC name of 4-dibenzofuran-2-yl-10-(4-dibenzofuran-2-ylphenyl)-7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (CID 90078335) is 4-dibenzofuran-2-yl-10-(4-dibenzofuran-2-ylphenyl)-7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.
What is the SMILES notation for 4-dibenzofuran-2-yl-10-(4-dibenzofuran-2-ylphenyl)-7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The canonical SMILES for 4-dibenzofuran-2-yl-10-(4-dibenzofuran-2-ylphenyl)-7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is c1ccc(-n2c3cc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)sc3c3sc(-c4ccc5oc6ccccc6c5c4)cc32)cc1.
What is the InChIKey of 4-dibenzofuran-2-yl-10-(4-dibenzofuran-2-ylphenyl)-7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The InChIKey is UVGXAZSXGJPEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25NO2S2/c1-2-8-30(9-3-1)45-35-24-41(27-16-14-26(15-17-27)28-18-20-39-33(22-28)31-10-4-6-12-37(31)46-39)48-43(35)44-36(45)25-42(49-44)29-19-21-40-34(23-29)32-11-5-7-13-38(32)47-40/h1-25H.
What are the key properties of 4-dibenzofuran-2-yl-10-(4-dibenzofuran-2-ylphenyl)-7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
4-dibenzofuran-2-yl-10-(4-dibenzofuran-2-ylphenyl)-7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene has a molecular weight of 663.82 g/mol, XLogP of 13.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-10-(4-dibenzofuran-2-ylphenyl)-7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is sourced from PubChem (CID 90078335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).