3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9H-fluoren-3-yl]-9-phenylcarbazole

C64H40N4O — CID 144782080

IUPAC3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9H-fluoren-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4oc4c(C6c7ccccc7-c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cccc45)c3)n2)cc1
InChIInChI=1S/C64H40N4O/c1-4-17-40(18-5-1)62-65-63(41-19-6-2-7-20-41)67-64(66-62)45-22-14-21-44(37-45)47-28-15-29-52-53-30-16-31-54(61(53)69-60(47)52)59-50-27-11-10-25-48(50)55-38-42(33-35-51(55)59)43-34-36-58-56(39-43)49-26-12-13-32-57(49)68(58)46-23-8-3-9-24-46/h1-39,59H
InChIKeyCEUYQDOLTZZZHY-UHFFFAOYSA-N
MW881.05 g/mol
LogP16.36
Rot. Bonds7

About 3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9H-fluoren-3-yl]-9-phenylcarbazole

3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9H-fluoren-3-yl]-9-phenylcarbazole (PubChem CID 144782080) has the molecular formula C64H40N4O and a molecular weight of 881.05 g/mol. Its IUPAC name is 3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9H-fluoren-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9H-fluoren-3-yl]-9-phenylcarbazole
PubChem CID144782080
Molecular FormulaC64H40N4O
Molecular Weight881.05 g/mol
Exact Mass880.32
IUPAC Name3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9H-fluoren-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4oc4c(C6c7ccccc7-c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cccc45)c3)n2)cc1
InChIInChI=1S/C64H40N4O/c1-4-17-40(18-5-1)62-65-63(41-19-6-2-7-20-41)67-64(66-62)45-22-14-21-44(37-45)47-28-15-29-52-53-30-16-31-54(61(53)69-60(47)52)59-50-27-11-10-25-48(50)55-38-42(33-35-51(55)59)43-34-36-58-56(39-43)49-26-12-13-32-57(49)68(58)46-23-8-3-9-24-46/h1-39,59H
InChIKeyCEUYQDOLTZZZHY-UHFFFAOYSA-N
XLogP16.36
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.05
LogP ≤ 516.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 122501655
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,7-diphenylindolo[2,3-b]carbazole
CID 118020105
9-phenyl-3-[6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
CID 148610640
3-[4-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 165151703
9-phenyl-3-[6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
CID 163662188
3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6,9-diphenylcarbazole
CID 122501692
3-[7-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 139342628
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 146300876
9-phenyl-3-[9-[4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-6-(9-phenyl-9H-fluoren-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377397
3-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 168770097
12-phenyl-7-[6-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]-7H-indeno[1,2-a]carbazole
CID 118349912
9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 159217991

Frequently Asked Questions

What is the IUPAC name of 3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9H-fluoren-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9H-fluoren-3-yl]-9-phenylcarbazole (CID 144782080) is 3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9H-fluoren-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9H-fluoren-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9H-fluoren-3-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4oc4c(C6c7ccccc7-c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cccc45)c3)n2)cc1.
What is the InChIKey of 3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9H-fluoren-3-yl]-9-phenylcarbazole?
The InChIKey is CEUYQDOLTZZZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N4O/c1-4-17-40(18-5-1)62-65-63(41-19-6-2-7-20-41)67-64(66-62)45-22-14-21-44(37-45)47-28-15-29-52-53-30-16-31-54(61(53)69-60(47)52)59-50-27-11-10-25-48(50)55-38-42(33-35-51(55)59)43-34-36-58-56(39-43)49-26-12-13-32-57(49)68(58)46-23-8-3-9-24-46/h1-39,59H.
What are the key properties of 3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9H-fluoren-3-yl]-9-phenylcarbazole?
3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9H-fluoren-3-yl]-9-phenylcarbazole has a molecular weight of 881.05 g/mol, XLogP of 16.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9H-fluoren-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 144782080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).