7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole

C69H38N6O3 — CID 126632681

IUPAC7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)nc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)n3)cc12
InChIInChI=1S/C69H38N6O3/c1-7-19-55-43(13-1)49-33-39(41-27-31-64-52(35-41)46-16-4-10-22-61(46)76-64)25-29-58(49)73(55)67-70-68(72-69(71-67)75-57-21-9-3-15-45(57)51-37-54-48-18-6-12-24-63(48)78-66(54)38-60(51)75)74-56-20-8-2-14-44(56)50-34-40(26-30-59(50)74)42-28-32-65-53(36-42)47-17-5-11-23-62(47)77-65/h1-38H
InChIKeyGBFSWFOYYVOQNI-UHFFFAOYSA-N
MW999.10 g/mol
LogP18.20
Rot. Bonds5

About 7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole

7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 126632681) has the molecular formula C69H38N6O3 and a molecular weight of 999.10 g/mol. Its IUPAC name is 7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
PubChem CID126632681
Molecular FormulaC69H38N6O3
Molecular Weight999.10 g/mol
Exact Mass998.30
IUPAC Name7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)nc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)n3)cc12
InChIInChI=1S/C69H38N6O3/c1-7-19-55-43(13-1)49-33-39(41-27-31-64-52(35-41)46-16-4-10-22-61(46)76-64)25-29-58(49)73(55)67-70-68(72-69(71-67)75-57-21-9-3-15-45(57)51-37-54-48-18-6-12-24-63(48)78-66(54)38-60(51)75)74-56-20-8-2-14-44(56)50-34-40(26-30-59(50)74)42-28-32-65-53(36-42)47-17-5-11-23-62(47)77-65/h1-38H
InChIKeyGBFSWFOYYVOQNI-UHFFFAOYSA-N
XLogP18.20
TPSA92.88 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500999.10
LogP ≤ 518.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632674
7-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-chloro-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 126632893
9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole
CID 126632043
9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 154978544
7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 70851639
7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092
2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223413
9-[4-(7-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358257
9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632665
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 160917779
2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163733499

Frequently Asked Questions

What is the IUPAC name of 7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole (CID 126632681) is 7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole is c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)nc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)n3)cc12.
What is the InChIKey of 7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is GBFSWFOYYVOQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H38N6O3/c1-7-19-55-43(13-1)49-33-39(41-27-31-64-52(35-41)46-16-4-10-22-61(46)76-64)25-29-58(49)73(55)67-70-68(72-69(71-67)75-57-21-9-3-15-45(57)51-37-54-48-18-6-12-24-63(48)78-66(54)38-60(51)75)74-56-20-8-2-14-44(56)50-34-40(26-30-59(50)74)42-28-32-65-53(36-42)47-17-5-11-23-62(47)77-65/h1-38H.
What are the key properties of 7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole?
7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 999.10 g/mol, XLogP of 18.20, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 126632681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).