9-[3-[2-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole

C64H40N4O2 — CID 146322027

IUPAC9-[3-[2-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
SMILESc1ccc(C2N=C(c3cccc(-n4c5ccccc5c5ccccc54)c3)N=C(c3cccc4c3oc3c(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)cccc34)N2)cc1
InChIInChI=1S/C64H40N4O2/c1-2-17-39(18-3-1)61-65-62(41-19-14-20-42(37-41)68-55-32-11-6-23-46(55)47-24-7-12-33-56(47)68)67-63(66-61)50-28-16-27-49-48-26-15-25-43(59(48)70-60(49)50)40-35-36-58-54(38-40)64(53-31-10-13-34-57(53)69-58)51-29-8-4-21-44(51)45-22-5-9-30-52(45)64/h1-38,61H,(H,65,66,67)
InChIKeyKTTIAPDDRFNGDX-UHFFFAOYSA-N
MW897.05 g/mol
LogP15.31
Rot. Bonds5

About 9-[3-[2-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole

9-[3-[2-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole (PubChem CID 146322027) has the molecular formula C64H40N4O2 and a molecular weight of 897.05 g/mol. Its IUPAC name is 9-[3-[2-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[2-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
PubChem CID146322027
Molecular FormulaC64H40N4O2
Molecular Weight897.05 g/mol
Exact Mass896.32
IUPAC Name9-[3-[2-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
SMILESc1ccc(C2N=C(c3cccc(-n4c5ccccc5c5ccccc54)c3)N=C(c3cccc4c3oc3c(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)cccc34)N2)cc1
InChIInChI=1S/C64H40N4O2/c1-2-17-39(18-3-1)61-65-62(41-19-14-20-42(37-41)68-55-32-11-6-23-46(55)47-24-7-12-33-56(47)68)67-63(66-61)50-28-16-27-49-48-26-15-25-43(59(48)70-60(49)50)40-35-36-58-54(38-40)64(53-31-10-13-34-57(53)69-58)51-29-8-4-21-44(51)45-22-5-9-30-52(45)64/h1-38,61H,(H,65,66,67)
InChIKeyKTTIAPDDRFNGDX-UHFFFAOYSA-N
XLogP15.31
TPSA64.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.05
LogP ≤ 515.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-[3-[2-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]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

2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazine
CID 146322030
9-[3-[6-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 136598017
3-dibenzofuran-4-yl-9-[3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]carbazole
CID 170137075
2-dibenzofuran-1-yl-9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 163852611
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 163775017
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[6-[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]carbazole
CID 126480816
5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole
CID 170038082
12'-[2-phenyl-4-(6-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-6-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 162363424
9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]dibenzofuran-2-yl]carbazole
CID 166962098
7-phenyl-1-[4-phenyl-2-(9,9'-spirobi[fluorene]-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]-[1]benzofuro[2,3-b]carbazole
CID 148620176
9-[3-[4-[2-(3-phenylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole
CID 137128475
9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3-(6-phenyldibenzofuran-4-yl)carbazole
CID 145085338

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole?
The IUPAC name of 9-[3-[2-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole (CID 146322027) is 9-[3-[2-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[2-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-[2-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole is c1ccc(C2N=C(c3cccc(-n4c5ccccc5c5ccccc54)c3)N=C(c3cccc4c3oc3c(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)cccc34)N2)cc1.
What is the InChIKey of 9-[3-[2-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole?
The InChIKey is KTTIAPDDRFNGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N4O2/c1-2-17-39(18-3-1)61-65-62(41-19-14-20-42(37-41)68-55-32-11-6-23-46(55)47-24-7-12-33-56(47)68)67-63(66-61)50-28-16-27-49-48-26-15-25-43(59(48)70-60(49)50)40-35-36-58-54(38-40)64(53-31-10-13-34-57(53)69-58)51-29-8-4-21-44(51)45-22-5-9-30-52(45)64/h1-38,61H,(H,65,66,67).
What are the key properties of 9-[3-[2-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole?
9-[3-[2-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole has a molecular weight of 897.05 g/mol, XLogP of 15.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole is sourced from PubChem (CID 146322027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).