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

C64H44N4O — CID 142568502

IUPAC5-[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
SMILESCC1(C)C2=C(C(c3cccc(-c4cccc5c6cc7ccccc7cc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)c6)c45)c3)=CCC2)c2ccccc21
InChIInChI=1S/C64H44N4O/c1-64(2)54-29-10-8-25-52(54)59-47(26-15-30-55(59)64)42-20-12-21-43(34-42)48-27-14-28-51-53-36-40-18-6-7-19-41(40)37-56(53)68(60(48)51)46-23-13-22-44(35-46)62-65-61(39-16-4-3-5-17-39)66-63(67-62)45-32-33-50-49-24-9-11-31-57(49)69-58(50)38-45/h3-14,16-29,31-38H,15,30H2,1-2H3
InChIKeyBBUIGOZYQNRTJB-UHFFFAOYSA-N
MW885.08 g/mol
LogP16.61
Rot. Bonds6

About 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

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 (PubChem CID 142568502) has the molecular formula C64H44N4O and a molecular weight of 885.08 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-dimethyl-1,2-dihydrofluoren-4-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-dimethyl-1,2-dihydrofluoren-4-yl)phenyl]benzo[b]carbazole
PubChem CID142568502
Molecular FormulaC64H44N4O
Molecular Weight885.08 g/mol
Exact Mass884.35
IUPAC Name5-[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
SMILESCC1(C)C2=C(C(c3cccc(-c4cccc5c6cc7ccccc7cc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)c6)c45)c3)=CCC2)c2ccccc21
InChIInChI=1S/C64H44N4O/c1-64(2)54-29-10-8-25-52(54)59-47(26-15-30-55(59)64)42-20-12-21-43(34-42)48-27-14-28-51-53-36-40-18-6-7-19-41(40)37-56(53)68(60(48)51)46-23-13-22-44(35-46)62-65-61(39-16-4-3-5-17-39)66-63(67-62)45-32-33-50-49-24-9-11-31-57(49)69-58(50)38-45/h3-14,16-29,31-38H,15,30H2,1-2H3
InChIKeyBBUIGOZYQNRTJB-UHFFFAOYSA-N
XLogP16.61
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.08
LogP ≤ 516.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
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-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 169014731
6-carbazol-9-yl-1-(3-dibenzofuran-2-ylphenyl)-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 142568463
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
4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane
CID 142568556
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
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-naphtho[2,1-b][1]benzofuran-9-yl-6-phenylcarbazole
CID 142570054
1-(3-dibenzofuran-4-ylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;ethane
CID 142568284

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-dimethyl-1,2-dihydrofluoren-4-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-dimethyl-1,2-dihydrofluoren-4-yl)phenyl]benzo[b]carbazole (CID 142568502) is 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.
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-dimethyl-1,2-dihydrofluoren-4-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-dimethyl-1,2-dihydrofluoren-4-yl)phenyl]benzo[b]carbazole is CC1(C)C2=C(C(c3cccc(-c4cccc5c6cc7ccccc7cc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)c6)c45)c3)=CCC2)c2ccccc21.
What is the InChIKey of 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?
The InChIKey is BBUIGOZYQNRTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N4O/c1-64(2)54-29-10-8-25-52(54)59-47(26-15-30-55(59)64)42-20-12-21-43(34-42)48-27-14-28-51-53-36-40-18-6-7-19-41(40)37-56(53)68(60(48)51)46-23-13-22-44(35-46)62-65-61(39-16-4-3-5-17-39)66-63(67-62)45-32-33-50-49-24-9-11-31-57(49)69-58(50)38-45/h3-14,16-29,31-38H,15,30H2,1-2H3.
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-dimethyl-1,2-dihydrofluoren-4-yl)phenyl]benzo[b]carbazole?
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 has a molecular weight of 885.08 g/mol, XLogP of 16.61, 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-dimethyl-1,2-dihydrofluoren-4-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 142568502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).