4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline

C57H37N5O — CID 90211165

IUPAC4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-n5c6ccccc6c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)ccc65)cccc34)n2)cc1
InChIInChI=1S/C57H37N5O/c1-5-17-39(18-6-1)55-58-56(40-19-7-2-8-20-40)60-57(59-55)48-28-15-26-46-47-27-16-30-52(54(47)63-53(46)48)62-50-29-14-13-25-45(50)49-37-41(33-36-51(49)62)38-31-34-44(35-32-38)61(42-21-9-3-10-22-42)43-23-11-4-12-24-43/h1-37H
InChIKeyHKJCQZHOZCJYLB-UHFFFAOYSA-N
MW807.96 g/mol
LogP15.01
Rot. Bonds8

About 4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline

4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline (PubChem CID 90211165) has the molecular formula C57H37N5O and a molecular weight of 807.96 g/mol. Its IUPAC name is 4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline
PubChem CID90211165
Molecular FormulaC57H37N5O
Molecular Weight807.96 g/mol
Exact Mass807.30
IUPAC Name4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-n5c6ccccc6c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)ccc65)cccc34)n2)cc1
InChIInChI=1S/C57H37N5O/c1-5-17-39(18-6-1)55-58-56(40-19-7-2-8-20-40)60-57(59-55)48-28-15-26-46-47-27-16-30-52(54(47)63-53(46)48)62-50-29-14-13-25-45(50)49-37-41(33-36-51(49)62)38-31-34-44(35-32-38)61(42-21-9-3-10-22-42)43-23-11-4-12-24-43/h1-37H
InChIKeyHKJCQZHOZCJYLB-UHFFFAOYSA-N
XLogP15.01
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.96
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline 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

9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3,6-triphenylcarbazole
CID 134236150
3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole
CID 170080874
N-[4-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 90207100
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,4-diphenylcarbazole
CID 155203344
3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 122501655
4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 90211178
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole
CID 139556525
9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 166952688
9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
CID 169011187
9-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole
CID 168770491
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylcarbazole
CID 167032287
N-[2-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline
CID 118086600

Frequently Asked Questions

What is the IUPAC name of 4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline (CID 90211165) is 4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-n5c6ccccc6c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)ccc65)cccc34)n2)cc1.
What is the InChIKey of 4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline?
The InChIKey is HKJCQZHOZCJYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5O/c1-5-17-39(18-6-1)55-58-56(40-19-7-2-8-20-40)60-57(59-55)48-28-15-26-46-47-27-16-30-52(54(47)63-53(46)48)62-50-29-14-13-25-45(50)49-37-41(33-36-51(49)62)38-31-34-44(35-32-38)61(42-21-9-3-10-22-42)43-23-11-4-12-24-43/h1-37H.
What are the key properties of 4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline?
4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline has a molecular weight of 807.96 g/mol, XLogP of 15.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline is sourced from PubChem (CID 90211165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).