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

C45H30N4O — CID 138513984

IUPAC3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc(-c4ccc5c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c5c4)c3)=N2)cc1
InChIInChI=1S/C45H30N4O/c1-4-13-29(14-5-1)43-46-44(30-15-6-2-7-16-30)48-45(47-43)33-18-12-17-31(27-33)32-23-24-37-39(28-32)49(34-19-8-3-9-20-34)38-26-25-36-35-21-10-11-22-40(35)50-42(36)41(37)38/h1-28,43H,(H,46,47,48)
InChIKeyUAQBWRDVYDPOOK-UHFFFAOYSA-N
MW642.76 g/mol
LogP10.85
Rot. Bonds5

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

3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole (PubChem CID 138513984) has the molecular formula C45H30N4O and a molecular weight of 642.76 g/mol. Its IUPAC name is 3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
PubChem CID138513984
Molecular FormulaC45H30N4O
Molecular Weight642.76 g/mol
Exact Mass642.24
IUPAC Name3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc(-c4ccc5c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c5c4)c3)=N2)cc1
InChIInChI=1S/C45H30N4O/c1-4-13-29(14-5-1)43-46-44(30-15-6-2-7-16-30)48-45(47-43)33-18-12-17-31(27-33)32-23-24-37-39(28-32)49(34-19-8-3-9-20-34)38-26-25-36-35-21-10-11-22-40(35)50-42(36)41(37)38/h1-28,43H,(H,46,47,48)
InChIKeyUAQBWRDVYDPOOK-UHFFFAOYSA-N
XLogP10.85
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 510.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155002339
3-dibenzofuran-4-yl-9-[3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]carbazole
CID 170137075
5-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
CID 166668347
3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 162698987
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
4-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-9-phenylcarbazol-2-yl]-N,N-diphenylaniline
CID 137222615
25-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-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 145268764
2-phenyl-9-[8-[2-phenyl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]carbazole
CID 166961321
9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole
CID 166668278
9-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 146395780
12-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole
CID 166668224
11-[3-[2-phenyl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 144956755

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole (CID 138513984) is 3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole is c1ccc(C2=NC(c3ccccc3)NC(c3cccc(-c4ccc5c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c5c4)c3)=N2)cc1.
What is the InChIKey of 3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?
The InChIKey is UAQBWRDVYDPOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4O/c1-4-13-29(14-5-1)43-46-44(30-15-6-2-7-16-30)48-45(47-43)33-18-12-17-31(27-33)32-23-24-37-39(28-32)49(34-19-8-3-9-20-34)38-26-25-36-35-21-10-11-22-40(35)50-42(36)41(37)38/h1-28,43H,(H,46,47,48).
What are the key properties of 3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?
3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole has a molecular weight of 642.76 g/mol, XLogP of 10.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 138513984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).