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

C68H50N4O — CID 142569133

IUPAC9-[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
SMILESCC.CC1(C)c2ccccc2-c2cc(-c3cccc(-c4cc(-c5ccccc5)cc5c6ccccc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)c6)c45)c3)ccc21
InChIInChI=1S/C66H44N4O.C2H6/c1-66(2)57-28-12-9-25-50(57)55-37-44(32-34-58(55)66)43-21-15-22-45(35-43)54-38-48(41-17-5-3-6-18-41)39-56-51-26-10-13-29-59(51)70(62(54)56)49-24-16-23-46(36-49)64-67-63(42-19-7-4-8-20-42)68-65(69-64)47-31-33-53-52-27-11-14-30-60(52)71-61(53)40-47;1-2/h3-40H,1-2H3;1-2H3
InChIKeyLNYIPFGEVDNUKV-UHFFFAOYSA-N
MW939.18 g/mol
LogP18.20
Rot. Bonds7

About 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

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 (PubChem CID 142569133) has the molecular formula C68H50N4O and a molecular weight of 939.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID142569133
Molecular FormulaC68H50N4O
Molecular Weight939.18 g/mol
Exact Mass938.40
IUPAC Name9-[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
SMILESCC.CC1(C)c2ccccc2-c2cc(-c3cccc(-c4cc(-c5ccccc5)cc5c6ccccc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)c6)c45)c3)ccc21
InChIInChI=1S/C66H44N4O.C2H6/c1-66(2)57-28-12-9-25-50(57)55-37-44(32-34-58(55)66)43-21-15-22-45(35-43)54-38-48(41-17-5-3-6-18-41)39-56-51-26-10-13-29-59(51)70(62(54)56)49-24-16-23-46(36-49)64-67-63(42-19-7-4-8-20-42)68-65(69-64)47-31-33-53-52-27-11-14-30-60(52)71-61(53)40-47;1-2/h3-40H,1-2H3;1-2H3
InChIKeyLNYIPFGEVDNUKV-UHFFFAOYSA-N
XLogP18.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.18
LogP ≤ 518.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 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-[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-[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
1-dibenzofuran-3-yl-9-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole
CID 130355704
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-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole
CID 142569574
3-[4-(9,9-dimethylfluoren-3-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170681246
9-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223723
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
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
3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-3-yl)carbazole
CID 170080771
12-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165441
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC1(C)c2ccccc2-c2cc(-c3cccc(-c4cc(-c5ccccc5)cc5c6ccccc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)c6)c45)c3)ccc21.
What is the InChIKey of 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?
The InChIKey is LNYIPFGEVDNUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N4O.C2H6/c1-66(2)57-28-12-9-25-50(57)55-37-44(32-34-58(55)66)43-21-15-22-45(35-43)54-38-48(41-17-5-3-6-18-41)39-56-51-26-10-13-29-59(51)70(62(54)56)49-24-16-23-46(36-49)64-67-63(42-19-7-4-8-20-42)68-65(69-64)47-31-33-53-52-27-11-14-30-60(52)71-61(53)40-47;1-2/h3-40H,1-2H3;1-2H3.
What are the key properties of 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?
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 has a molecular weight of 939.18 g/mol, XLogP of 18.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142569133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).