2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole

C51H32N4O — CID 163416723

IUPAC2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6cc7c8ccccc8n(-c8ccccc8)c7cc6c5c4)n3)c2)cc1
InChIInChI=1S/C51H32N4O/c1-5-15-33(16-6-1)37-27-38(34-17-7-2-8-18-34)29-39(28-37)51-53-49(35-19-9-3-10-20-35)52-50(54-51)36-25-26-47-43(30-36)44-31-46-42(32-48(44)56-47)41-23-13-14-24-45(41)55(46)40-21-11-4-12-22-40/h1-32H
InChIKeyXNVJYNLIPRIJRZ-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.20
Rot. Bonds6

About 2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole

2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole (PubChem CID 163416723) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
PubChem CID163416723
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6cc7c8ccccc8n(-c8ccccc8)c7cc6c5c4)n3)c2)cc1
InChIInChI=1S/C51H32N4O/c1-5-15-33(16-6-1)37-27-38(34-17-7-2-8-18-34)29-39(28-37)51-53-49(35-19-9-3-10-20-35)52-50(54-51)36-25-26-47-43(30-36)44-31-46-42(32-48(44)56-47)41-23-13-14-24-45(41)55(46)40-21-11-4-12-22-40/h1-32H
InChIKeyXNVJYNLIPRIJRZ-UHFFFAOYSA-N
XLogP13.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163842571
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-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163556848
11-phenyl-3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 163682982
11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 118154464
2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163733499
11-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole
CID 163758695
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-25-phenyl-5-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 140957247
5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 171596946
3-[8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole;3-[8-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 159222480
2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 146367342
3-[8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342236

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole (CID 163416723) is 2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6cc7c8ccccc8n(-c8ccccc8)c7cc6c5c4)n3)c2)cc1.
What is the InChIKey of 2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The InChIKey is XNVJYNLIPRIJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-5-15-33(16-6-1)37-27-38(34-17-7-2-8-18-34)29-39(28-37)51-53-49(35-19-9-3-10-20-35)52-50(54-51)36-25-26-47-43(30-36)44-31-46-42(32-48(44)56-47)41-23-13-14-24-45(41)55(46)40-21-11-4-12-22-40/h1-32H.
What are the key properties of 2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole?
2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole has a molecular weight of 716.84 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 163416723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).