3-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole

C69H38N4O3S — CID 168767904

IUPAC3-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole
SMILESc1ccc2c(c1)oc1cc(-c3nc(-c4cccc5oc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8cccc9c8oc8ccccc89)cc7)cc6c45)nc(-c4cccc5sc6ccccc6c45)n3)ccc12
InChIInChI=1S/C69H38N4O3S/c1-5-20-55-45(12-1)53-36-40(29-34-56(53)73(55)43-31-26-39(27-32-43)44-16-9-17-49-47-14-3-7-22-58(47)76-66(44)49)41-30-35-59-54(37-41)64-51(18-10-23-60(64)74-59)68-70-67(42-28-33-48-46-13-2-6-21-57(46)75-61(48)38-42)71-69(72-68)52-19-11-25-63-65(52)50-15-4-8-24-62(50)77-63/h1-38H
InChIKeyKDXMBTWVUYHSDQ-UHFFFAOYSA-N
MW1003.15 g/mol
LogP19.37
Rot. Bonds6

About 3-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole

3-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole (PubChem CID 168767904) has the molecular formula C69H38N4O3S and a molecular weight of 1003.15 g/mol. Its IUPAC name is 3-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole
PubChem CID168767904
Molecular FormulaC69H38N4O3S
Molecular Weight1003.15 g/mol
Exact Mass1002.27
IUPAC Name3-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole
SMILESc1ccc2c(c1)oc1cc(-c3nc(-c4cccc5oc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8cccc9c8oc8ccccc89)cc7)cc6c45)nc(-c4cccc5sc6ccccc6c45)n3)ccc12
InChIInChI=1S/C69H38N4O3S/c1-5-20-55-45(12-1)53-36-40(29-34-56(53)73(55)43-31-26-39(27-32-43)44-16-9-17-49-47-14-3-7-22-58(47)76-66(44)49)41-30-35-59-54(37-41)64-51(18-10-23-60(64)74-59)68-70-67(42-28-33-48-46-13-2-6-21-57(46)75-61(48)38-42)71-69(72-68)52-19-11-25-63-65(52)50-15-4-8-24-62(50)77-63/h1-38H
InChIKeyKDXMBTWVUYHSDQ-UHFFFAOYSA-N
XLogP19.37
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.15
LogP ≤ 519.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole with MolForge

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Related Compounds

3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
CID 168768745
3-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768306
9-phenyl-2-[7-[9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole
CID 168768781
3-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
CID 168768603
5-[3-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014557
3-dibenzofuran-3-yl-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzofuran-4-yl-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-1-yl-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 163517609
9-[9-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-3-phenylcarbazole
CID 166913990
1-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767741
3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534453
3-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768676
3-[6-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768428
2-dibenzofuran-1-yl-4,6-diphenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;3-dibenzofuran-1-yl-9-phenylcarbazole;2-dibenzothiophen-1-yl-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4,6-diphenyl-1,3,5-triazine
CID 163752902

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole?
The IUPAC name of 3-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole (CID 168767904) is 3-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole.
What is the SMILES notation for 3-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole?
The canonical SMILES for 3-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole is c1ccc2c(c1)oc1cc(-c3nc(-c4cccc5oc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8cccc9c8oc8ccccc89)cc7)cc6c45)nc(-c4cccc5sc6ccccc6c45)n3)ccc12.
What is the InChIKey of 3-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole?
The InChIKey is KDXMBTWVUYHSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H38N4O3S/c1-5-20-55-45(12-1)53-36-40(29-34-56(53)73(55)43-31-26-39(27-32-43)44-16-9-17-49-47-14-3-7-22-58(47)76-66(44)49)41-30-35-59-54(37-41)64-51(18-10-23-60(64)74-59)68-70-67(42-28-33-48-46-13-2-6-21-57(46)75-61(48)38-42)71-69(72-68)52-19-11-25-63-65(52)50-15-4-8-24-62(50)77-63/h1-38H.
What are the key properties of 3-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole?
3-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole has a molecular weight of 1003.15 g/mol, XLogP of 19.37, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole is sourced from PubChem (CID 168767904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).