1-(5-dibenzofuran-1-ylnaphthalen-1-yl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane

C58H40N4O2 — CID 142568873

IUPAC1-(5-dibenzofuran-1-ylnaphthalen-1-yl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane
SMILESCCC.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4cccc(-c5cccc6c(-c7cccc8oc9ccccc9c78)cccc56)c43)n2)cc1
InChIInChI=1S/C55H32N4O2.C3H8/c1-2-14-33(15-3-1)53-56-54(34-30-31-41-40-17-5-8-27-47(40)61-50(41)32-34)58-55(57-53)59-46-26-7-4-16-39(46)44-25-12-24-43(52(44)59)38-22-11-19-35-36(38)20-10-21-37(35)42-23-13-29-49-51(42)45-18-6-9-28-48(45)60-49;1-3-2/h1-32H;3H2,1-2H3
InChIKeyGZGVIFVEJCAFEW-UHFFFAOYSA-N
MW824.98 g/mol
LogP16.00
Rot. Bonds5

About 1-(5-dibenzofuran-1-ylnaphthalen-1-yl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane

1-(5-dibenzofuran-1-ylnaphthalen-1-yl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane (PubChem CID 142568873) has the molecular formula C58H40N4O2 and a molecular weight of 824.98 g/mol. Its IUPAC name is 1-(5-dibenzofuran-1-ylnaphthalen-1-yl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane.

Molecular Properties

Compound Name1-(5-dibenzofuran-1-ylnaphthalen-1-yl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane
PubChem CID142568873
Molecular FormulaC58H40N4O2
Molecular Weight824.98 g/mol
Exact Mass824.32
IUPAC Name1-(5-dibenzofuran-1-ylnaphthalen-1-yl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane
SMILESCCC.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4cccc(-c5cccc6c(-c7cccc8oc9ccccc9c78)cccc56)c43)n2)cc1
InChIInChI=1S/C55H32N4O2.C3H8/c1-2-14-33(15-3-1)53-56-54(34-30-31-41-40-17-5-8-27-47(40)61-50(41)32-34)58-55(57-53)59-46-26-7-4-16-39(46)44-25-12-24-43(52(44)59)38-22-11-19-35-36(38)20-10-21-37(35)42-23-13-29-49-51(42)45-18-6-9-28-48(45)60-49;1-3-2/h1-32H;3H2,1-2H3
InChIKeyGZGVIFVEJCAFEW-UHFFFAOYSA-N
XLogP16.00
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.98
LogP ≤ 516.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-(7-dibenzofuran-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358254
1-dibenzofuran-1-yl-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 163882752
12-[4-dibenzofuran-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163423429
12-[4-phenyl-6-[4-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 164933118
11-(4-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758383
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole;ethane
CID 142571694
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole
CID 167309895
9-[4-(9-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358250
12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 118888305
9-[4-[4-(7-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358295
1-(1,7-diphenyldibenzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309658
9-phenyl-1-[2-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole
CID 170192348

Frequently Asked Questions

What is the IUPAC name of 1-(5-dibenzofuran-1-ylnaphthalen-1-yl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane?
The IUPAC name of 1-(5-dibenzofuran-1-ylnaphthalen-1-yl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane (CID 142568873) is 1-(5-dibenzofuran-1-ylnaphthalen-1-yl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane.
What is the SMILES notation for 1-(5-dibenzofuran-1-ylnaphthalen-1-yl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane?
The canonical SMILES for 1-(5-dibenzofuran-1-ylnaphthalen-1-yl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane is CCC.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4cccc(-c5cccc6c(-c7cccc8oc9ccccc9c78)cccc56)c43)n2)cc1.
What is the InChIKey of 1-(5-dibenzofuran-1-ylnaphthalen-1-yl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane?
The InChIKey is GZGVIFVEJCAFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4O2.C3H8/c1-2-14-33(15-3-1)53-56-54(34-30-31-41-40-17-5-8-27-47(40)61-50(41)32-34)58-55(57-53)59-46-26-7-4-16-39(46)44-25-12-24-43(52(44)59)38-22-11-19-35-36(38)20-10-21-37(35)42-23-13-29-49-51(42)45-18-6-9-28-48(45)60-49;1-3-2/h1-32H;3H2,1-2H3.
What are the key properties of 1-(5-dibenzofuran-1-ylnaphthalen-1-yl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane?
1-(5-dibenzofuran-1-ylnaphthalen-1-yl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane has a molecular weight of 824.98 g/mol, XLogP of 16.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-dibenzofuran-1-ylnaphthalen-1-yl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane is sourced from PubChem (CID 142568873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).