9-[2-[4-(1-benzothiophen-7-yl)-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole

C59H34N4OS2 — CID 177130672

IUPAC9-[2-[4-(1-benzothiophen-7-yl)-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole
SMILES[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccc1-c1nc(-c2cccc(-c3cccc4c3sc3ccc(-c5cccc6c5oc5ccccc56)cc34)c2)nc(-c2cccc3ccsc23)n1
InChIInChI=1S/C59H34N4OS2/c1-5-25-49-41(16-1)42-17-2-6-26-50(42)63(49)51-27-7-3-19-46(51)58-60-57(61-59(62-58)47-24-10-13-35-31-32-65-55(35)47)38-15-9-14-36(33-38)40-21-12-23-45-48-34-37(29-30-53(48)66-56(40)45)39-20-11-22-44-43-18-4-8-28-52(43)64-54(39)44/h1-34H/i1D,2D,5D,16D,17D,25D,26D
InChIKeyYERIUOSREOFCNR-GECXBCHASA-N
MW886.12 g/mol
LogP16.79
Rot. Bonds6

About 9-[2-[4-(1-benzothiophen-7-yl)-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole

9-[2-[4-(1-benzothiophen-7-yl)-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole (PubChem CID 177130672) has the molecular formula C59H34N4OS2 and a molecular weight of 886.12 g/mol. Its IUPAC name is 9-[2-[4-(1-benzothiophen-7-yl)-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole.

Molecular Properties

Compound Name9-[2-[4-(1-benzothiophen-7-yl)-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole
PubChem CID177130672
Molecular FormulaC59H34N4OS2
Molecular Weight886.12 g/mol
Exact Mass885.26
IUPAC Name9-[2-[4-(1-benzothiophen-7-yl)-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole
SMILES[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccc1-c1nc(-c2cccc(-c3cccc4c3sc3ccc(-c5cccc6c5oc5ccccc56)cc34)c2)nc(-c2cccc3ccsc23)n1
InChIInChI=1S/C59H34N4OS2/c1-5-25-49-41(16-1)42-17-2-6-26-50(42)63(49)51-27-7-3-19-46(51)58-60-57(61-59(62-58)47-24-10-13-35-31-32-65-55(35)47)38-15-9-14-36(33-38)40-21-12-23-45-48-34-37(29-30-53(48)66-56(40)45)39-20-11-22-44-43-18-4-8-28-52(43)64-54(39)44/h1-34H/i1D,2D,5D,16D,17D,25D,26D
InChIKeyYERIUOSREOFCNR-GECXBCHASA-N
XLogP16.79
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.12
LogP ≤ 516.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[2-[4-(1-benzothiophen-7-yl)-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole with MolForge

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Related Compounds

1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-dibenzofuran-2-yl-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130679
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-dibenzofuran-3-yl-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130283
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130442
1,3,4,5,6,8-hexadeuterio-9-[5-dibenzofuran-4-yl-2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 172525850
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[3-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130514
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130587
9-[2-[4-carbazol-9-yl-6-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole
CID 177130463
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130575
1,2,3,4,5,6,7,8-octadeuterio-9-[2-[3-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole
CID 177130448
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130330
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130291
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130706

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(1-benzothiophen-7-yl)-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole?
The IUPAC name of 9-[2-[4-(1-benzothiophen-7-yl)-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole (CID 177130672) is 9-[2-[4-(1-benzothiophen-7-yl)-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole.
What is the SMILES notation for 9-[2-[4-(1-benzothiophen-7-yl)-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole?
The canonical SMILES for 9-[2-[4-(1-benzothiophen-7-yl)-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole is [2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccc1-c1nc(-c2cccc(-c3cccc4c3sc3ccc(-c5cccc6c5oc5ccccc56)cc34)c2)nc(-c2cccc3ccsc23)n1.
What is the InChIKey of 9-[2-[4-(1-benzothiophen-7-yl)-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole?
The InChIKey is YERIUOSREOFCNR-GECXBCHASA-N. The full InChI is InChI=1S/C59H34N4OS2/c1-5-25-49-41(16-1)42-17-2-6-26-50(42)63(49)51-27-7-3-19-46(51)58-60-57(61-59(62-58)47-24-10-13-35-31-32-65-55(35)47)38-15-9-14-36(33-38)40-21-12-23-45-48-34-37(29-30-53(48)66-56(40)45)39-20-11-22-44-43-18-4-8-28-52(43)64-54(39)44/h1-34H/i1D,2D,5D,16D,17D,25D,26D.
What are the key properties of 9-[2-[4-(1-benzothiophen-7-yl)-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole?
9-[2-[4-(1-benzothiophen-7-yl)-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole has a molecular weight of 886.12 g/mol, XLogP of 16.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-(1-benzothiophen-7-yl)-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole is sourced from PubChem (CID 177130672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).