9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole

C51H32N4O2 — CID 174291367

IUPAC9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole
SMILESC1=Cc2c(c3ccccc3n2-c2cccc(-c3cccc(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5ccc6c(c5)oc5ccccc56)n4)c3)c2)CC1
InChIInChI=1S/C51H32N4O2/c1-5-19-43-37(15-1)38-16-2-6-20-44(38)55(43)36-14-10-12-32(28-36)31-11-9-13-33(27-31)49-52-50(34-23-25-41-39-17-3-7-21-45(39)56-47(41)29-34)54-51(53-49)35-24-26-42-40-18-4-8-22-46(40)57-48(42)30-35/h1,3-15,17-30H,2,16H2
InChIKeyXAZQQLLXJTVZHR-UHFFFAOYSA-N
MW732.84 g/mol
LogP13.24
Rot. Bonds5

About 9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole

9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole (PubChem CID 174291367) has the molecular formula C51H32N4O2 and a molecular weight of 732.84 g/mol. Its IUPAC name is 9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole.

Molecular Properties

Compound Name9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole
PubChem CID174291367
Molecular FormulaC51H32N4O2
Molecular Weight732.84 g/mol
Exact Mass732.25
IUPAC Name9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole
SMILESC1=Cc2c(c3ccccc3n2-c2cccc(-c3cccc(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5ccc6c(c5)oc5ccccc56)n4)c3)c2)CC1
InChIInChI=1S/C51H32N4O2/c1-5-19-43-37(15-1)38-16-2-6-20-44(38)55(43)36-14-10-12-32(28-36)31-11-9-13-33(27-31)49-52-50(34-23-25-41-39-17-3-7-21-45(39)56-47(41)29-34)54-51(53-49)35-24-26-42-40-18-4-8-22-46(40)57-48(42)30-35/h1,3-15,17-30H,2,16H2
InChIKeyXAZQQLLXJTVZHR-UHFFFAOYSA-N
XLogP13.24
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.84
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[3-[4-dibenzofuran-3-yl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 149015024
9-[3-[4-dibenzofuran-3-yl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 159113305
9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-(7-phenyl-3,4-dihydrocarbazol-9-yl)carbazole
CID 170082267
5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146532365
9-(3-dibenzofuran-3-ylphenyl)-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 171438053
3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 164998334
9-(3-dibenzofuran-3-ylphenyl)-2-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171437863
3-dibenzofuran-3-yl-9-[3-[4-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126631973
9-[3-[4-[4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 162230336
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-7,8-dihydroindolo[2,3-a]carbazole
CID 134240137
9-[4,6-bis(2-dibenzofuran-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2-dibenzofuran-3-ylcarbazole;2-dibenzofuran-3-yl-9-[3-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)-6-[3-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 158600573
9-[3-(1,3,5-triazin-2-yl)phenyl]-3,4-dihydrocarbazole
CID 175358566

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole?
The IUPAC name of 9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole (CID 174291367) is 9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole.
What is the SMILES notation for 9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole?
The canonical SMILES for 9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole is C1=Cc2c(c3ccccc3n2-c2cccc(-c3cccc(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5ccc6c(c5)oc5ccccc56)n4)c3)c2)CC1.
What is the InChIKey of 9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole?
The InChIKey is XAZQQLLXJTVZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O2/c1-5-19-43-37(15-1)38-16-2-6-20-44(38)55(43)36-14-10-12-32(28-36)31-11-9-13-33(27-31)49-52-50(34-23-25-41-39-17-3-7-21-45(39)56-47(41)29-34)54-51(53-49)35-24-26-42-40-18-4-8-22-46(40)57-48(42)30-35/h1,3-15,17-30H,2,16H2.
What are the key properties of 9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole?
9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole has a molecular weight of 732.84 g/mol, XLogP of 13.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole is sourced from PubChem (CID 174291367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).