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

C53H33N5 — CID 168807795

IUPAC9-naphthalen-1-yl-1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c5ccccc5n(-c5cccc6c7ccccc7n(-c7cccc8ccccc78)c56)c4c3)n2)cc1
InChIInChI=1S/C53H33N5/c1-2-16-36(17-3-1)51-54-52(38-29-28-34-14-4-5-18-37(34)32-38)56-53(55-51)39-30-31-43-41-21-8-10-24-46(41)57(49(43)33-39)48-27-13-23-44-42-22-9-11-25-47(42)58(50(44)48)45-26-12-19-35-15-6-7-20-40(35)45/h1-33H
InChIKeyJFQLTEHIYKSTOA-UHFFFAOYSA-N
MW739.88 g/mol
LogP13.37
Rot. Bonds5

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

9-naphthalen-1-yl-1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]carbazole (PubChem CID 168807795) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 9-naphthalen-1-yl-1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]carbazole.

Molecular Properties

Compound Name9-naphthalen-1-yl-1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]carbazole
PubChem CID168807795
Molecular FormulaC53H33N5
Molecular Weight739.88 g/mol
Exact Mass739.27
IUPAC Name9-naphthalen-1-yl-1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c5ccccc5n(-c5cccc6c7ccccc7n(-c7cccc8ccccc78)c56)c4c3)n2)cc1
InChIInChI=1S/C53H33N5/c1-2-16-36(17-3-1)51-54-52(38-29-28-34-14-4-5-18-37(34)32-38)56-53(55-51)39-30-31-43-41-21-8-10-24-46(41)57(49(43)33-39)48-27-13-23-44-42-22-9-11-25-47(42)58(50(44)48)45-26-12-19-35-15-6-7-20-40(35)45/h1-33H
InChIKeyJFQLTEHIYKSTOA-UHFFFAOYSA-N
XLogP13.37
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807703
9-naphthalen-1-yl-2-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087212
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 156531291
9-naphthalen-2-yl-1-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole
CID 168807767
1-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-naphthalen-1-ylcarbazole
CID 168807861
9-naphthalen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-naphthalen-2-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-(3-phenylphenyl)phenyl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(3-phenylphenyl)phenyl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158981335
1-[2-[4-dibenzothiophen-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 168807680
11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
CID 167032232
7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole
CID 164781358
16-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-1-yl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 138654034
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-b]carbazole
CID 138623405
1-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 170096979

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]carbazole?
The IUPAC name of 9-naphthalen-1-yl-1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]carbazole (CID 168807795) is 9-naphthalen-1-yl-1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]carbazole.
What is the SMILES notation for 9-naphthalen-1-yl-1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]carbazole?
The canonical SMILES for 9-naphthalen-1-yl-1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]carbazole is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c5ccccc5n(-c5cccc6c7ccccc7n(-c7cccc8ccccc78)c56)c4c3)n2)cc1.
What is the InChIKey of 9-naphthalen-1-yl-1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]carbazole?
The InChIKey is JFQLTEHIYKSTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c1-2-16-36(17-3-1)51-54-52(38-29-28-34-14-4-5-18-37(34)32-38)56-53(55-51)39-30-31-43-41-21-8-10-24-46(41)57(49(43)33-39)48-27-13-23-44-42-22-9-11-25-47(42)58(50(44)48)45-26-12-19-35-15-6-7-20-40(35)45/h1-33H.
What are the key properties of 9-naphthalen-1-yl-1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]carbazole?
9-naphthalen-1-yl-1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]carbazole has a molecular weight of 739.88 g/mol, XLogP of 13.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]carbazole is sourced from PubChem (CID 168807795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).