9-[4-[3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole

C47H31N5 — CID 121429721

IUPAC9-[4-[3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c(-c4cccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)cc4ccccc43)n2)cc1
InChIInChI=1S/C47H31N5/c1-3-14-33(15-4-1)45-48-46(34-16-5-2-6-17-34)50-47(49-45)52-41-23-10-7-18-37(41)31-44(52)36-20-13-19-35(30-36)32-26-28-38(29-27-32)51-42-24-11-8-21-39(42)40-22-9-12-25-43(40)51/h1-31H
InChIKeyCYQCWMUYWBFMLP-UHFFFAOYSA-N
MW665.80 g/mol
LogP11.58
Rot. Bonds6

About 9-[4-[3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole

9-[4-[3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole (PubChem CID 121429721) has the molecular formula C47H31N5 and a molecular weight of 665.80 g/mol. Its IUPAC name is 9-[4-[3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole
PubChem CID121429721
Molecular FormulaC47H31N5
Molecular Weight665.80 g/mol
Exact Mass665.26
IUPAC Name9-[4-[3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c(-c4cccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)cc4ccccc43)n2)cc1
InChIInChI=1S/C47H31N5/c1-3-14-33(15-4-1)45-48-46(34-16-5-2-6-17-34)50-47(49-45)52-41-23-10-7-18-37(41)31-44(52)36-20-13-19-35(30-36)32-26-28-38(29-27-32)51-42-24-11-8-21-39(42)40-22-9-12-25-43(40)51/h1-31H
InChIKeyCYQCWMUYWBFMLP-UHFFFAOYSA-N
XLogP11.58
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.80
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole
CID 145105537
9-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155156244
9-[4-[4-[4-[4-[3-[4-[4,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 58943409
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 162483719
9-[4-[4-[3-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 158533687
9-[4-[4-[3-[3-[4-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 58943500
7-(4-phenylphenyl)-5-[4-phenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 156556458
9-[4-(3-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087328
9-[4-[4-[3-[3-[3-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 58943494
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 156554523
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

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole (CID 121429721) is 9-[4-[3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c(-c4cccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)cc4ccccc43)n2)cc1.
What is the InChIKey of 9-[4-[3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole?
The InChIKey is CYQCWMUYWBFMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N5/c1-3-14-33(15-4-1)45-48-46(34-16-5-2-6-17-34)50-47(49-45)52-41-23-10-7-18-37(41)31-44(52)36-20-13-19-35(30-36)32-26-28-38(29-27-32)51-42-24-11-8-21-39(42)40-22-9-12-25-43(40)51/h1-31H.
What are the key properties of 9-[4-[3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole?
9-[4-[3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole has a molecular weight of 665.80 g/mol, XLogP of 11.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 121429721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).