3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,7-diphenyl-[1]benzofuro[2,3-b]carbazole

C45H28N4O — CID 163749487

IUPAC3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,7-diphenyl-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c4c(c3)oc3cc5c(cc34)c3ccccc3n5-c3ccccc3)n2)cc1
InChIInChI=1S/C45H28N4O/c1-5-15-29(16-6-1)35-25-32(45-47-43(30-17-7-2-8-18-30)46-44(48-45)31-19-9-3-10-20-31)26-41-42(35)37-27-36-34-23-13-14-24-38(34)49(33-21-11-4-12-22-33)39(36)28-40(37)50-41/h1-28H
InChIKeyUQMLBFSSJJYYKO-UHFFFAOYSA-N
MW640.75 g/mol
LogP11.54
Rot. Bonds5

About 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,7-diphenyl-[1]benzofuro[2,3-b]carbazole

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,7-diphenyl-[1]benzofuro[2,3-b]carbazole (PubChem CID 163749487) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,7-diphenyl-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,7-diphenyl-[1]benzofuro[2,3-b]carbazole
PubChem CID163749487
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,7-diphenyl-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c4c(c3)oc3cc5c(cc34)c3ccccc3n5-c3ccccc3)n2)cc1
InChIInChI=1S/C45H28N4O/c1-5-15-29(16-6-1)35-25-32(45-47-43(30-17-7-2-8-18-30)46-44(48-45)31-19-9-3-10-20-31)26-41-42(35)37-27-36-34-23-13-14-24-38(34)49(33-21-11-4-12-22-33)39(36)28-40(37)50-41/h1-28H
InChIKeyUQMLBFSSJJYYKO-UHFFFAOYSA-N
XLogP11.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163456699
1-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163898329
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,12-diphenyl-[1]benzofuro[3,2-a]carbazole
CID 163848310
9-phenyl-3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 162775185
3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163958673
1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 163645340
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyldibenzofuran-2-yl]-9-phenylcarbazole
CID 129291963
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]benzo[b]carbazole
CID 166495763
7-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 163573968
2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163733499
19-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 140957360
5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-7-phenylindolo[2,3-b]carbazole
CID 164707538

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,7-diphenyl-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,7-diphenyl-[1]benzofuro[2,3-b]carbazole (CID 163749487) is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,7-diphenyl-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,7-diphenyl-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,7-diphenyl-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c4c(c3)oc3cc5c(cc34)c3ccccc3n5-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,7-diphenyl-[1]benzofuro[2,3-b]carbazole?
The InChIKey is UQMLBFSSJJYYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-5-15-29(16-6-1)35-25-32(45-47-43(30-17-7-2-8-18-30)46-44(48-45)31-19-9-3-10-20-31)26-41-42(35)37-27-36-34-23-13-14-24-38(34)49(33-21-11-4-12-22-33)39(36)28-40(37)50-41/h1-28H.
What are the key properties of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,7-diphenyl-[1]benzofuro[2,3-b]carbazole?
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,7-diphenyl-[1]benzofuro[2,3-b]carbazole has a molecular weight of 640.75 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,7-diphenyl-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 163749487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).