16-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-3-oxa-8,16-diazapentacyclo[16.4.0.02,6.07,12.013,17]docosa-1(22),2(6),4,7(12),8,10,13(17),14,18,20-decaene

C55H32N2OS — CID 140932147

IUPAC16-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-3-oxa-8,16-diazapentacyclo[16.4.0.02,6.07,12.013,17]docosa-1(22),2(6),4,7(12),8,10,13(17),14,18,20-decaene
SMILESc1ccc2c(c1)-c1ccccc1-c1cc(-n3ccc4c3-c3ccccc3-c3occc3-c3ncccc3-4)ccc1-c1ccc(-c3cccc4c3sc3ccccc34)cc1-2
InChIInChI=1S/C55H32N2OS/c1-3-13-38-36(11-1)37-12-2-4-14-39(37)50-32-34(57-29-26-45-43-20-10-28-56-52(43)48-27-30-58-54(48)46-17-6-5-16-44(46)53(45)57)23-25-41(50)40-24-22-33(31-49(38)40)35-18-9-19-47-42-15-7-8-21-51(42)59-55(35)47/h1-32H/b37-36-,41-40-,45-43-,49-38-,50-39-,52-48+,53-44+,54-46+
InChIKeyLTMKSBMWOVJUCS-DOMYLSLDSA-N
MW768.94 g/mol
LogP15.46
Rot. Bonds2

About 16-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-3-oxa-8,16-diazapentacyclo[16.4.0.02,6.07,12.013,17]docosa-1(22),2(6),4,7(12),8,10,13(17),14,18,20-decaene

16-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-3-oxa-8,16-diazapentacyclo[16.4.0.02,6.07,12.013,17]docosa-1(22),2(6),4,7(12),8,10,13(17),14,18,20-decaene (PubChem CID 140932147) has the molecular formula C55H32N2OS and a molecular weight of 768.94 g/mol. Its IUPAC name is 16-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-3-oxa-8,16-diazapentacyclo[16.4.0.02,6.07,12.013,17]docosa-1(22),2(6),4,7(12),8,10,13(17),14,18,20-decaene.

Molecular Properties

Compound Name16-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-3-oxa-8,16-diazapentacyclo[16.4.0.02,6.07,12.013,17]docosa-1(22),2(6),4,7(12),8,10,13(17),14,18,20-decaene
PubChem CID140932147
Molecular FormulaC55H32N2OS
Molecular Weight768.94 g/mol
Exact Mass768.22
IUPAC Name16-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-3-oxa-8,16-diazapentacyclo[16.4.0.02,6.07,12.013,17]docosa-1(22),2(6),4,7(12),8,10,13(17),14,18,20-decaene
SMILESc1ccc2c(c1)-c1ccccc1-c1cc(-n3ccc4c3-c3ccccc3-c3occc3-c3ncccc3-4)ccc1-c1ccc(-c3cccc4c3sc3ccccc34)cc1-2
InChIInChI=1S/C55H32N2OS/c1-3-13-38-36(11-1)37-12-2-4-14-39(37)50-32-34(57-29-26-45-43-20-10-28-56-52(43)48-27-30-58-54(48)46-17-6-5-16-44(46)53(45)57)23-25-41(50)40-24-22-33(31-49(38)40)35-18-9-19-47-42-15-7-8-21-51(42)59-55(35)47/h1-32H/b37-36-,41-40-,45-43-,49-38-,50-39-,52-48+,53-44+,54-46+
InChIKeyLTMKSBMWOVJUCS-DOMYLSLDSA-N
XLogP15.46
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.94
LogP ≤ 515.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 16-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-3-oxa-8,16-diazapentacyclo[16.4.0.02,6.07,12.013,17]docosa-1(22),2(6),4,7(12),8,10,13(17),14,18,20-decaene with MolForge

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Related Compounds

2-[7-Fluoro-3-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051332
2-(6-Dibenzothiophen-3-yl-7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 167358048
2-(6-Dibenzothiophen-2-yl-7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 167358203
1-(7-Tert-butyl-8-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-(3-methyl-1-benzothiophen-2-yl)isoquinolin-2-ium
CID 169033846
2-[2-[2-(9-Naphthalen-2-ylanthracen-1-yl)furan-3-yl]thiophen-3-yl]-3-pyridin-3-ylpyridine
CID 53698269
2-[7-(9H-fluoren-9-yl)-2-(furan-2-yl)-8-methyl-3-thiophen-2-ylnaphthalen-1-yl]pyridine
CID 53850286
9-[8-[3-(3-Dibenzofuran-2-ylphenyl)phenyl]dibenzothiophen-2-yl]pyrido[3,4-b]indole
CID 57544060
8-(3-Dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544260
2-[2-[8-[8-(2-Pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]phenyl]pyridine
CID 57958225
9-[8-(2-Pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)dibenzothiophen-2-yl]carbazole
CID 57958268
9-Dibenzothiophen-2-yl-3-(8-pyridin-2-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole
CID 57958319
2-Dibenzofuran-4-yl-4-dibenzothiophen-4-ylpyridine
CID 58050206

Frequently Asked Questions

What is the IUPAC name of 16-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-3-oxa-8,16-diazapentacyclo[16.4.0.02,6.07,12.013,17]docosa-1(22),2(6),4,7(12),8,10,13(17),14,18,20-decaene?
The IUPAC name of 16-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-3-oxa-8,16-diazapentacyclo[16.4.0.02,6.07,12.013,17]docosa-1(22),2(6),4,7(12),8,10,13(17),14,18,20-decaene (CID 140932147) is 16-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-3-oxa-8,16-diazapentacyclo[16.4.0.02,6.07,12.013,17]docosa-1(22),2(6),4,7(12),8,10,13(17),14,18,20-decaene.
What is the SMILES notation for 16-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-3-oxa-8,16-diazapentacyclo[16.4.0.02,6.07,12.013,17]docosa-1(22),2(6),4,7(12),8,10,13(17),14,18,20-decaene?
The canonical SMILES for 16-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-3-oxa-8,16-diazapentacyclo[16.4.0.02,6.07,12.013,17]docosa-1(22),2(6),4,7(12),8,10,13(17),14,18,20-decaene is c1ccc2c(c1)-c1ccccc1-c1cc(-n3ccc4c3-c3ccccc3-c3occc3-c3ncccc3-4)ccc1-c1ccc(-c3cccc4c3sc3ccccc34)cc1-2.
What is the InChIKey of 16-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-3-oxa-8,16-diazapentacyclo[16.4.0.02,6.07,12.013,17]docosa-1(22),2(6),4,7(12),8,10,13(17),14,18,20-decaene?
The InChIKey is LTMKSBMWOVJUCS-DOMYLSLDSA-N. The full InChI is InChI=1S/C55H32N2OS/c1-3-13-38-36(11-1)37-12-2-4-14-39(37)50-32-34(57-29-26-45-43-20-10-28-56-52(43)48-27-30-58-54(48)46-17-6-5-16-44(46)53(45)57)23-25-41(50)40-24-22-33(31-49(38)40)35-18-9-19-47-42-15-7-8-21-51(42)59-55(35)47/h1-32H/b37-36-,41-40-,45-43-,49-38-,50-39-,52-48+,53-44+,54-46+.
What are the key properties of 16-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-3-oxa-8,16-diazapentacyclo[16.4.0.02,6.07,12.013,17]docosa-1(22),2(6),4,7(12),8,10,13(17),14,18,20-decaene?
16-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-3-oxa-8,16-diazapentacyclo[16.4.0.02,6.07,12.013,17]docosa-1(22),2(6),4,7(12),8,10,13(17),14,18,20-decaene has a molecular weight of 768.94 g/mol, XLogP of 15.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-3-oxa-8,16-diazapentacyclo[16.4.0.02,6.07,12.013,17]docosa-1(22),2(6),4,7(12),8,10,13(17),14,18,20-decaene is sourced from PubChem (CID 140932147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).