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

C57H37N5 — CID 168835045

IUPAC5-(2,6-diphenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4c(-c5ccccc5)cccc4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C57H37N5/c1-5-18-38(19-6-1)39-32-34-43(35-33-39)56-58-55(42-24-11-4-12-25-42)59-57(60-56)62-51-31-16-14-27-47(51)49-36-52-48(37-53(49)62)46-26-13-15-30-50(46)61(52)54-44(40-20-7-2-8-21-40)28-17-29-45(54)41-22-9-3-10-23-41/h1-37H
InChIKeyYVTWAHSDDRNNGV-UHFFFAOYSA-N
MW791.96 g/mol
LogP14.40
Rot. Bonds7

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

5-(2,6-diphenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole (PubChem CID 168835045) has the molecular formula C57H37N5 and a molecular weight of 791.96 g/mol. Its IUPAC name is 5-(2,6-diphenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-(2,6-diphenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
PubChem CID168835045
Molecular FormulaC57H37N5
Molecular Weight791.96 g/mol
Exact Mass791.30
IUPAC Name5-(2,6-diphenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4c(-c5ccccc5)cccc4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C57H37N5/c1-5-18-38(19-6-1)39-32-34-43(35-33-39)56-58-55(42-24-11-4-12-25-42)59-57(60-56)62-51-31-16-14-27-47(51)49-36-52-48(37-53(49)62)46-26-13-15-30-50(46)61(52)54-44(40-20-7-2-8-21-40)28-17-29-45(54)41-22-9-3-10-23-41/h1-37H
InChIKeyYVTWAHSDDRNNGV-UHFFFAOYSA-N
XLogP14.40
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.96
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 176837753
9-(2,6-diphenylphenyl)-14-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167154514
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-phenylphenyl)carbazole
CID 142377778
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 165079921
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-triphenylen-1-ylphenyl)indolo[3,2-b]carbazole
CID 170542420
11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 169014141
9-[4-carbazol-9-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742588
9-[4-carbazol-9-yl-6-[3-[2-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742511
11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene
CID 168762836
9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 176831267
3-carbazol-9-yl-9-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole
CID 138606121

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-diphenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?
The IUPAC name of 5-(2,6-diphenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole (CID 168835045) is 5-(2,6-diphenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole.
What is the SMILES notation for 5-(2,6-diphenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?
The canonical SMILES for 5-(2,6-diphenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4c(-c5ccccc5)cccc4-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 5-(2,6-diphenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?
The InChIKey is YVTWAHSDDRNNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5/c1-5-18-38(19-6-1)39-32-34-43(35-33-39)56-58-55(42-24-11-4-12-25-42)59-57(60-56)62-51-31-16-14-27-47(51)49-36-52-48(37-53(49)62)46-26-13-15-30-50(46)61(52)54-44(40-20-7-2-8-21-40)28-17-29-45(54)41-22-9-3-10-23-41/h1-37H.
What are the key properties of 5-(2,6-diphenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?
5-(2,6-diphenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole has a molecular weight of 791.96 g/mol, XLogP of 14.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-diphenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole is sourced from PubChem (CID 168835045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).