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

C52H34N4O — CID 142570978

IUPAC5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(9,9-dimethylfluoren-3-yl)benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc4c5cc6ccccc6cc5n(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)oc6ccccc67)n5)c34)ccc21
InChIInChI=1S/C52H34N4O/c1-52(2)43-21-10-8-17-37(43)41-28-34(24-26-44(41)52)36-19-12-20-40-42-27-32-15-6-7-16-33(32)29-45(42)56(48(36)40)51-54-49(31-13-4-3-5-14-31)53-50(55-51)35-23-25-39-38-18-9-11-22-46(38)57-47(39)30-35/h3-30H,1-2H3
InChIKeySSAYQIAZZVKXPP-UHFFFAOYSA-N
MW730.87 g/mol
LogP13.33
Rot. Bonds4

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

5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(9,9-dimethylfluoren-3-yl)benzo[b]carbazole (PubChem CID 142570978) has the molecular formula C52H34N4O and a molecular weight of 730.87 g/mol. Its IUPAC name is 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(9,9-dimethylfluoren-3-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(9,9-dimethylfluoren-3-yl)benzo[b]carbazole
PubChem CID142570978
Molecular FormulaC52H34N4O
Molecular Weight730.87 g/mol
Exact Mass730.27
IUPAC Name5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(9,9-dimethylfluoren-3-yl)benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc4c5cc6ccccc6cc5n(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)oc6ccccc67)n5)c34)ccc21
InChIInChI=1S/C52H34N4O/c1-52(2)43-21-10-8-17-37(43)41-28-34(24-26-44(41)52)36-19-12-20-40-42-27-32-15-6-7-16-33(32)29-45(42)56(48(36)40)51-54-49(31-13-4-3-5-14-31)53-50(55-51)35-23-25-39-38-18-9-11-22-46(38)57-47(39)30-35/h3-30H,1-2H3
InChIKeySSAYQIAZZVKXPP-UHFFFAOYSA-N
XLogP13.33
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.87
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
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
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-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole
CID 142568449
4-(9,9-dimethylfluoren-2-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142572202
4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane
CID 142568556
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-dibenzofuran-2-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142571859
12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166917707
7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(9,9-dimethylfluoren-2-yl)benzo[c]carbazole
CID 142570942
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole
CID 142571981
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole
CID 142570024

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(9,9-dimethylfluoren-3-yl)benzo[b]carbazole?
The IUPAC name of 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(9,9-dimethylfluoren-3-yl)benzo[b]carbazole (CID 142570978) is 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(9,9-dimethylfluoren-3-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(9,9-dimethylfluoren-3-yl)benzo[b]carbazole?
The canonical SMILES for 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(9,9-dimethylfluoren-3-yl)benzo[b]carbazole is CC1(C)c2ccccc2-c2cc(-c3cccc4c5cc6ccccc6cc5n(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)oc6ccccc67)n5)c34)ccc21.
What is the InChIKey of 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(9,9-dimethylfluoren-3-yl)benzo[b]carbazole?
The InChIKey is SSAYQIAZZVKXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4O/c1-52(2)43-21-10-8-17-37(43)41-28-34(24-26-44(41)52)36-19-12-20-40-42-27-32-15-6-7-16-33(32)29-45(42)56(48(36)40)51-54-49(31-13-4-3-5-14-31)53-50(55-51)35-23-25-39-38-18-9-11-22-46(38)57-47(39)30-35/h3-30H,1-2H3.
What are the key properties of 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(9,9-dimethylfluoren-3-yl)benzo[b]carbazole?
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(9,9-dimethylfluoren-3-yl)benzo[b]carbazole has a molecular weight of 730.87 g/mol, XLogP of 13.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(9,9-dimethylfluoren-3-yl)benzo[b]carbazole is sourced from PubChem (CID 142570978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).