9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-3-yl]-11-phenylbenzo[a]carbazole

C52H33N5 — CID 142621940

IUPAC9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-3-yl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cc(-c6ccc7c8ccc9ccccc9c8n(-c8ccccc8)c7c6)cnc45)cc3)n2)cc1
InChIInChI=1S/C52H33N5/c1-4-14-36(15-5-1)50-54-51(37-16-6-2-7-17-37)56-52(55-50)38-25-23-35(24-26-38)43-22-12-18-40-31-41(33-53-48(40)43)39-28-29-45-46-30-27-34-13-10-11-21-44(34)49(46)57(47(45)32-39)42-19-8-3-9-20-42/h1-33H
InChIKeyXDGOSSZDQMBMLW-UHFFFAOYSA-N
MW727.87 g/mol
LogP13.01
Rot. Bonds6

About 9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-3-yl]-11-phenylbenzo[a]carbazole

9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-3-yl]-11-phenylbenzo[a]carbazole (PubChem CID 142621940) has the molecular formula C52H33N5 and a molecular weight of 727.87 g/mol. Its IUPAC name is 9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-3-yl]-11-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-3-yl]-11-phenylbenzo[a]carbazole
PubChem CID142621940
Molecular FormulaC52H33N5
Molecular Weight727.87 g/mol
Exact Mass727.27
IUPAC Name9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-3-yl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cc(-c6ccc7c8ccc9ccccc9c8n(-c8ccccc8)c7c6)cnc45)cc3)n2)cc1
InChIInChI=1S/C52H33N5/c1-4-14-36(15-5-1)50-54-51(37-16-6-2-7-17-37)56-52(55-50)38-25-23-35(24-26-38)43-22-12-18-40-31-41(33-53-48(40)43)39-28-29-45-46-30-27-34-13-10-11-21-44(34)49(46)57(47(45)32-39)42-19-8-3-9-20-42/h1-33H
InChIKeyXDGOSSZDQMBMLW-UHFFFAOYSA-N
XLogP13.01
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
CID 135245189
11-[3-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[a]carbazole
CID 167031915
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71287119
11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
CID 167032232
11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole
CID 145158985
1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807703
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168781710
11-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[a]carbazole
CID 167031798
9-phenyl-1-[4-(9-phenylcarbazol-2-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169280035
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 168781705
16-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-4,12-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 161392177
4-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168782134

Frequently Asked Questions

What is the IUPAC name of 9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-3-yl]-11-phenylbenzo[a]carbazole?
The IUPAC name of 9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-3-yl]-11-phenylbenzo[a]carbazole (CID 142621940) is 9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-3-yl]-11-phenylbenzo[a]carbazole.
What is the SMILES notation for 9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-3-yl]-11-phenylbenzo[a]carbazole?
The canonical SMILES for 9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-3-yl]-11-phenylbenzo[a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cc(-c6ccc7c8ccc9ccccc9c8n(-c8ccccc8)c7c6)cnc45)cc3)n2)cc1.
What is the InChIKey of 9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-3-yl]-11-phenylbenzo[a]carbazole?
The InChIKey is XDGOSSZDQMBMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N5/c1-4-14-36(15-5-1)50-54-51(37-16-6-2-7-17-37)56-52(55-50)38-25-23-35(24-26-38)43-22-12-18-40-31-41(33-53-48(40)43)39-28-29-45-46-30-27-34-13-10-11-21-44(34)49(46)57(47(45)32-39)42-19-8-3-9-20-42/h1-33H.
What are the key properties of 9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-3-yl]-11-phenylbenzo[a]carbazole?
9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-3-yl]-11-phenylbenzo[a]carbazole has a molecular weight of 727.87 g/mol, XLogP of 13.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-3-yl]-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 142621940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).