5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]benzo[b]carbazole

C64H42N4O — CID 142569233

IUPAC5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc5c6cc7ccccc7cc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)c6)c45)c3)ccc21
InChIInChI=1S/C64H42N4O/c1-64(2)55-27-10-8-23-49(55)53-35-43(30-32-56(53)64)40-19-12-20-44(33-40)48-25-14-26-52-54-36-41-17-6-7-18-42(41)37-57(54)68(60(48)52)47-22-13-21-45(34-47)62-65-61(39-15-4-3-5-16-39)66-63(67-62)46-29-31-51-50-24-9-11-28-58(50)69-59(51)38-46/h3-38H,1-2H3
InChIKeyUSAIGUSUALFECX-UHFFFAOYSA-N
MW883.07 g/mol
LogP16.66
Rot. Bonds6

About 5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]benzo[b]carbazole

5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]benzo[b]carbazole (PubChem CID 142569233) has the molecular formula C64H42N4O and a molecular weight of 883.07 g/mol. Its IUPAC name is 5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]benzo[b]carbazole
PubChem CID142569233
Molecular FormulaC64H42N4O
Molecular Weight883.07 g/mol
Exact Mass882.34
IUPAC Name5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc5c6cc7ccccc7cc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)c6)c45)c3)ccc21
InChIInChI=1S/C64H42N4O/c1-64(2)55-27-10-8-23-49(55)53-35-43(30-32-56(53)64)40-19-12-20-44(33-40)48-25-14-26-52-54-36-41-17-6-7-18-42(41)37-57(54)68(60(48)52)47-22-13-21-45(34-47)62-65-61(39-15-4-3-5-16-39)66-63(67-62)46-29-31-51-50-24-9-11-28-58(50)69-59(51)38-46/h3-38H,1-2H3
InChIKeyUSAIGUSUALFECX-UHFFFAOYSA-N
XLogP16.66
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.07
LogP ≤ 516.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole
CID 142568449
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(9,9-dimethylfluoren-3-yl)benzo[b]carbazole
CID 142570978
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylcarbazole;ethane
CID 142569133
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]benzo[a]carbazole;ethane
CID 142569292
5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-(9,9-dimethyl-1,2-dihydrofluoren-4-yl)phenyl]benzo[b]carbazole
CID 142568502
4-dibenzofuran-2-yl-5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;propane
CID 142570608
15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethyl-24-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5,7,9,13,17(25),18,20,22,26-dodecaene
CID 142415987
11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-(9,9-dimethylfluoren-3-yl)benzo[a]carbazole
CID 142572212
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole;ethane
CID 142571417
2-dibenzofuran-3-yl-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681220
1-dibenzofuran-3-yl-9-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole
CID 130355704
4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 142567912

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]benzo[b]carbazole?
The IUPAC name of 5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]benzo[b]carbazole (CID 142569233) is 5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]benzo[b]carbazole?
The canonical SMILES for 5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]benzo[b]carbazole is CC1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc5c6cc7ccccc7cc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)c6)c45)c3)ccc21.
What is the InChIKey of 5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]benzo[b]carbazole?
The InChIKey is USAIGUSUALFECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4O/c1-64(2)55-27-10-8-23-49(55)53-35-43(30-32-56(53)64)40-19-12-20-44(33-40)48-25-14-26-52-54-36-41-17-6-7-18-42(41)37-57(54)68(60(48)52)47-22-13-21-45(34-47)62-65-61(39-15-4-3-5-16-39)66-63(67-62)46-29-31-51-50-24-9-11-28-58(50)69-59(51)38-46/h3-38H,1-2H3.
What are the key properties of 5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]benzo[b]carbazole?
5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]benzo[b]carbazole has a molecular weight of 883.07 g/mol, XLogP of 16.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 142569233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).