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

C53H33N5 — CID 167052622

IUPAC9-[3-carbazol-9-yl-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc2cc(-c3nc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccc5ccccc5c4)n3)ccc2c1
InChIInChI=1S/C53H33N5/c1-3-15-36-29-38(27-25-34(36)13-1)51-54-52(39-28-26-35-14-2-4-16-37(35)30-39)56-53(55-51)40-31-41(57-47-21-9-5-17-43(47)44-18-6-10-22-48(44)57)33-42(32-40)58-49-23-11-7-19-45(49)46-20-8-12-24-50(46)58/h1-33H
InChIKeyZUTGLSVJQTVOEJ-UHFFFAOYSA-N
MW739.88 g/mol
LogP13.37
Rot. Bonds5

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

9-[3-carbazol-9-yl-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 167052622) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID167052622
Molecular FormulaC53H33N5
Molecular Weight739.88 g/mol
Exact Mass739.27
IUPAC Name9-[3-carbazol-9-yl-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc2cc(-c3nc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccc5ccccc5c4)n3)ccc2c1
InChIInChI=1S/C53H33N5/c1-3-15-36-29-38(27-25-34(36)13-1)51-54-52(39-28-26-35-14-2-4-16-37(35)30-39)56-53(55-51)40-31-41(57-47-21-9-5-17-43(47)44-18-6-10-22-48(44)57)33-42(32-40)58-49-23-11-7-19-45(49)46-20-8-12-24-50(46)58/h1-33H
InChIKeyZUTGLSVJQTVOEJ-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

9-[3-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 166915555
9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)carbazole
CID 59194526
9-[4-[4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146622020
9-[4-[4-[3-[7-[3-[3-[4-(3-carbazol-9-ylphenyl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphthalen-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146650760
9-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-ylphenyl]carbazole
CID 169016925
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621318
5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 130417457
9-[3-[4-naphthalen-2-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177283132
9-[3-[2-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032128
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,5-diphenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole
CID 164953244
9-[4-(3,5-diphenylphenyl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(3,5-diphenylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 160984950
9-[3-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 167032255

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 167052622) is 9-[3-carbazol-9-yl-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole is c1ccc2cc(-c3nc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccc5ccccc5c4)n3)ccc2c1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is ZUTGLSVJQTVOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c1-3-15-36-29-38(27-25-34(36)13-1)51-54-52(39-28-26-35-14-2-4-16-37(35)30-39)56-53(55-51)40-31-41(57-47-21-9-5-17-43(47)44-18-6-10-22-48(44)57)33-42(32-40)58-49-23-11-7-19-45(49)46-20-8-12-24-50(46)58/h1-33H.
What are the key properties of 9-[3-carbazol-9-yl-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
9-[3-carbazol-9-yl-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]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-[3-carbazol-9-yl-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 167052622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).