6-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-11-phenylbenzo[a]carbazole

C55H35N5 — CID 174274925

IUPAC6-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4c(-c5cc6ccccc6c6c5c5ccccc5n6-c5ccccc5)cccc43)n2)cc1
InChIInChI=1S/C55H35N5/c1-4-19-36(20-5-1)53-56-54(37-21-6-2-7-22-37)58-55(57-53)44-29-14-17-33-48(44)60-47-32-16-12-27-42(47)50-41(30-18-34-49(50)60)45-35-38-23-10-11-26-40(38)52-51(45)43-28-13-15-31-46(43)59(52)39-24-8-3-9-25-39/h1-35H
InChIKeyXJJAWHPYIBFUTA-UHFFFAOYSA-N
MW765.92 g/mol
LogP13.89
Rot. Bonds6

About 6-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-11-phenylbenzo[a]carbazole

6-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-11-phenylbenzo[a]carbazole (PubChem CID 174274925) has the molecular formula C55H35N5 and a molecular weight of 765.92 g/mol. Its IUPAC name is 6-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-11-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name6-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-11-phenylbenzo[a]carbazole
PubChem CID174274925
Molecular FormulaC55H35N5
Molecular Weight765.92 g/mol
Exact Mass765.29
IUPAC Name6-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4c(-c5cc6ccccc6c6c5c5ccccc5n6-c5ccccc5)cccc43)n2)cc1
InChIInChI=1S/C55H35N5/c1-4-19-36(20-5-1)53-56-54(37-21-6-2-7-22-37)58-55(57-53)44-29-14-17-33-48(44)60-47-32-16-12-27-42(47)50-41(30-18-34-49(50)60)45-35-38-23-10-11-26-40(38)52-51(45)43-28-13-15-31-46(43)59(52)39-24-8-3-9-25-39/h1-35H
InChIKeyXJJAWHPYIBFUTA-UHFFFAOYSA-N
XLogP13.89
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.92
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155183616
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenyl-4-(9-phenylcarbazol-4-yl)carbazole
CID 174272291
4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270072
5-[2-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 146573174
4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270121
5-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139497018
5-[5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 157484056
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 149424415
4-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174273028
3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 121401468
4-[9-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174273676
2-carbazol-9-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174271990

Frequently Asked Questions

What is the IUPAC name of 6-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-11-phenylbenzo[a]carbazole?
The IUPAC name of 6-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-11-phenylbenzo[a]carbazole (CID 174274925) is 6-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-11-phenylbenzo[a]carbazole.
What is the SMILES notation for 6-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-11-phenylbenzo[a]carbazole?
The canonical SMILES for 6-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-11-phenylbenzo[a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4c(-c5cc6ccccc6c6c5c5ccccc5n6-c5ccccc5)cccc43)n2)cc1.
What is the InChIKey of 6-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-11-phenylbenzo[a]carbazole?
The InChIKey is XJJAWHPYIBFUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N5/c1-4-19-36(20-5-1)53-56-54(37-21-6-2-7-22-37)58-55(57-53)44-29-14-17-33-48(44)60-47-32-16-12-27-42(47)50-41(30-18-34-49(50)60)45-35-38-23-10-11-26-40(38)52-51(45)43-28-13-15-31-46(43)59(52)39-24-8-3-9-25-39/h1-35H.
What are the key properties of 6-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-11-phenylbenzo[a]carbazole?
6-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-11-phenylbenzo[a]carbazole has a molecular weight of 765.92 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 174274925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).