11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-(9,9-dimethylfluoren-4-yl)benzo[a]carbazole;ethane

C58H42N4O — CID 142570626

IUPAC11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-(9,9-dimethylfluoren-4-yl)benzo[a]carbazole;ethane
SMILESCC.CC1(C)c2ccccc2-c2c(-c3cccc4c5ccc6ccccc6c5n(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7c(c6)oc6ccccc67)n5)c34)cccc21
InChIInChI=1S/C56H36N4O.C2H6/c1-56(2)46-22-9-7-18-45(46)50-41(19-12-23-47(50)56)42-20-11-21-43-44-30-27-34-14-5-6-16-38(34)51(44)60(52(42)43)55-58-53(36-26-25-33-13-3-4-15-35(33)31-36)57-54(59-55)37-28-29-40-39-17-8-10-24-48(39)61-49(40)32-37;1-2/h3-32H,1-2H3;1-2H3
InChIKeyAFQNCEHKNZRTKB-UHFFFAOYSA-N
MW811.00 g/mol
LogP15.51
Rot. Bonds4

About 11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-(9,9-dimethylfluoren-4-yl)benzo[a]carbazole;ethane

11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-(9,9-dimethylfluoren-4-yl)benzo[a]carbazole;ethane (PubChem CID 142570626) has the molecular formula C58H42N4O and a molecular weight of 811.00 g/mol. Its IUPAC name is 11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-(9,9-dimethylfluoren-4-yl)benzo[a]carbazole;ethane.

Molecular Properties

Compound Name11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-(9,9-dimethylfluoren-4-yl)benzo[a]carbazole;ethane
PubChem CID142570626
Molecular FormulaC58H42N4O
Molecular Weight811.00 g/mol
Exact Mass810.34
IUPAC Name11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-(9,9-dimethylfluoren-4-yl)benzo[a]carbazole;ethane
SMILESCC.CC1(C)c2ccccc2-c2c(-c3cccc4c5ccc6ccccc6c5n(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7c(c6)oc6ccccc67)n5)c34)cccc21
InChIInChI=1S/C56H36N4O.C2H6/c1-56(2)46-22-9-7-18-45(46)50-41(19-12-23-47(50)56)42-20-11-21-43-44-30-27-34-14-5-6-16-38(34)51(44)60(52(42)43)55-58-53(36-26-25-33-13-3-4-15-35(33)31-36)57-54(59-55)37-28-29-40-39-17-8-10-24-48(39)61-49(40)32-37;1-2/h3-32H,1-2H3;1-2H3
InChIKeyAFQNCEHKNZRTKB-UHFFFAOYSA-N
XLogP15.51
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.00
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-(9,9-dimethylfluoren-4-yl)benzo[a]carbazole;ethane with MolForge

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Related Compounds

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
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
21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-19-(7,7-dimethylbenzo[g]fluoren-9-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 142572138
2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170680990
10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole
CID 142569857
2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazine
CID 163527458
19-dibenzofuran-3-yl-21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane
CID 142570998
7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(7,7-dimethylbenzo[c]fluoren-10-yl)benzo[c]carbazole
CID 163654534
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole;ethane
CID 142571552
7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(9,9-dimethylfluoren-2-yl)benzo[c]carbazole
CID 142570942
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(9,9-dimethylfluoren-3-yl)benzo[b]carbazole
CID 142570978
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176588323

Frequently Asked Questions

What is the IUPAC name of 11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-(9,9-dimethylfluoren-4-yl)benzo[a]carbazole;ethane?
The IUPAC name of 11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-(9,9-dimethylfluoren-4-yl)benzo[a]carbazole;ethane (CID 142570626) is 11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-(9,9-dimethylfluoren-4-yl)benzo[a]carbazole;ethane.
What is the SMILES notation for 11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-(9,9-dimethylfluoren-4-yl)benzo[a]carbazole;ethane?
The canonical SMILES for 11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-(9,9-dimethylfluoren-4-yl)benzo[a]carbazole;ethane is CC.CC1(C)c2ccccc2-c2c(-c3cccc4c5ccc6ccccc6c5n(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7c(c6)oc6ccccc67)n5)c34)cccc21.
What is the InChIKey of 11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-(9,9-dimethylfluoren-4-yl)benzo[a]carbazole;ethane?
The InChIKey is AFQNCEHKNZRTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4O.C2H6/c1-56(2)46-22-9-7-18-45(46)50-41(19-12-23-47(50)56)42-20-11-21-43-44-30-27-34-14-5-6-16-38(34)51(44)60(52(42)43)55-58-53(36-26-25-33-13-3-4-15-35(33)31-36)57-54(59-55)37-28-29-40-39-17-8-10-24-48(39)61-49(40)32-37;1-2/h3-32H,1-2H3;1-2H3.
What are the key properties of 11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-(9,9-dimethylfluoren-4-yl)benzo[a]carbazole;ethane?
11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-(9,9-dimethylfluoren-4-yl)benzo[a]carbazole;ethane has a molecular weight of 811.00 g/mol, XLogP of 15.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-(9,9-dimethylfluoren-4-yl)benzo[a]carbazole;ethane is sourced from PubChem (CID 142570626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).