11-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]benzo[a]carbazole

C57H34N4O — CID 164847979

IUPAC11-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]benzo[a]carbazole
SMILESc1ccc2cc(-c3nc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccc8ccccc8c76)c6c5oc5ccccc56)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1
InChIInChI=1S/C57H34N4O/c1-3-14-40-33-42(27-21-35(40)11-1)56-58-55(59-57(60-56)43-28-22-36-12-2-4-15-41(36)34-43)39-25-23-38(24-26-39)45-31-32-50(52-48-18-8-10-20-51(48)62-54(45)52)61-49-19-9-7-17-46(49)47-30-29-37-13-5-6-16-44(37)53(47)61/h1-34H
InChIKeySDTMCUUBRILWTO-UHFFFAOYSA-N
MW790.93 g/mol
LogP15.00
Rot. Bonds5

About 11-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]benzo[a]carbazole

11-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]benzo[a]carbazole (PubChem CID 164847979) has the molecular formula C57H34N4O and a molecular weight of 790.93 g/mol. Its IUPAC name is 11-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]benzo[a]carbazole.

Molecular Properties

Compound Name11-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]benzo[a]carbazole
PubChem CID164847979
Molecular FormulaC57H34N4O
Molecular Weight790.93 g/mol
Exact Mass790.27
IUPAC Name11-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]benzo[a]carbazole
SMILESc1ccc2cc(-c3nc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccc8ccccc8c76)c6c5oc5ccccc56)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1
InChIInChI=1S/C57H34N4O/c1-3-14-40-33-42(27-21-35(40)11-1)56-58-55(59-57(60-56)43-28-22-36-12-2-4-15-41(36)34-43)39-25-23-38(24-26-39)45-31-32-50(52-48-18-8-10-20-51(48)62-54(45)52)61-49-19-9-7-17-46(49)47-30-29-37-13-5-6-16-44(37)53(47)61/h1-34H
InChIKeySDTMCUUBRILWTO-UHFFFAOYSA-N
XLogP15.00
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.93
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]benzo[a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-6-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 164847760
11-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[a]carbazole
CID 163853213
9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 167032741
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[a]carbazole
CID 164847928
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166699493
11-[7-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[a]carbazole
CID 167032824
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[a]carbazole
CID 164847730
4-(1-benzo[a]carbazol-11-yldibenzofuran-4-yl)-2-phenyl-6-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
CID 174311955
5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699258
12-[1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 164715133
5-[1-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164714933
2-[9-(4-naphthalen-2-yldibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 172512232

Frequently Asked Questions

What is the IUPAC name of 11-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]benzo[a]carbazole?
The IUPAC name of 11-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]benzo[a]carbazole (CID 164847979) is 11-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]benzo[a]carbazole.
What is the SMILES notation for 11-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]benzo[a]carbazole?
The canonical SMILES for 11-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]benzo[a]carbazole is c1ccc2cc(-c3nc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccc8ccccc8c76)c6c5oc5ccccc56)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1.
What is the InChIKey of 11-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]benzo[a]carbazole?
The InChIKey is SDTMCUUBRILWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O/c1-3-14-40-33-42(27-21-35(40)11-1)56-58-55(59-57(60-56)43-28-22-36-12-2-4-15-41(36)34-43)39-25-23-38(24-26-39)45-31-32-50(52-48-18-8-10-20-51(48)62-54(45)52)61-49-19-9-7-17-46(49)47-30-29-37-13-5-6-16-44(37)53(47)61/h1-34H.
What are the key properties of 11-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]benzo[a]carbazole?
11-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]benzo[a]carbazole has a molecular weight of 790.93 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]benzo[a]carbazole is sourced from PubChem (CID 164847979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).