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

C45H28N4O — CID 164955673

IUPAC7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c3)n2)cc1
InChIInChI=1S/C45H28N4O/c1-3-14-29(15-4-1)43-46-44(30-16-5-2-6-17-30)48-45(47-43)32-19-13-18-31(26-32)33-20-7-10-23-38(33)49-39-24-11-8-21-34(39)36-27-37-35-22-9-12-25-41(35)50-42(37)28-40(36)49/h1-28H
InChIKeyITRMPRYBZMVFRA-UHFFFAOYSA-N
MW640.75 g/mol
LogP11.54
Rot. Bonds5

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

7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 164955673) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
PubChem CID164955673
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c3)n2)cc1
InChIInChI=1S/C45H28N4O/c1-3-14-29(15-4-1)43-46-44(30-16-5-2-6-17-30)48-45(47-43)32-19-13-18-31(26-32)33-20-7-10-23-38(33)49-39-24-11-8-21-34(39)36-27-37-35-22-9-12-25-41(35)50-42(37)28-40(36)49/h1-28H
InChIKeyITRMPRYBZMVFRA-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

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

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Related Compounds

5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
CID 170542552
2-dibenzofuran-1-yl-9-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 156521803
7-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 130334153
3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164956340
25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-11-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 140957385
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzofuro[3,2-b]carbazole
CID 163515985
2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163733499
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 160917779
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
7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-[1]benzofuro[2,3-b]carbazole
CID 167588833
11-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 164932870
9-(2-dibenzofuran-3-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438000

Frequently Asked Questions

What is the IUPAC name of 7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole (CID 164955673) is 7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c3)n2)cc1.
What is the InChIKey of 7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is ITRMPRYBZMVFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-3-14-29(15-4-1)43-46-44(30-16-5-2-6-17-30)48-45(47-43)32-19-13-18-31(26-32)33-20-7-10-23-38(33)49-39-24-11-8-21-34(39)36-27-37-35-22-9-12-25-41(35)50-42(37)28-40(36)49/h1-28H.
What are the key properties of 7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole?
7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[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 7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 164955673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).