2-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylpyrazolo[5,1-a]isoquinoline

C50H32N6 — CID 164927923

IUPAC2-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4cc5c6ccccc6cc(-c6ccccc6)n5n4)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C50H32N6/c1-3-13-34(14-4-1)46-31-38-17-7-8-18-40(38)47-32-43(54-56(46)47)33-23-25-36(26-24-33)49-51-48(35-15-5-2-6-16-35)52-50(53-49)37-27-29-39(30-28-37)55-44-21-11-9-19-41(44)42-20-10-12-22-45(42)55/h1-32H
InChIKeyIEXACZGXUMGYHU-UHFFFAOYSA-N
MW716.85 g/mol
LogP12.10
Rot. Bonds6

About 2-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylpyrazolo[5,1-a]isoquinoline

2-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylpyrazolo[5,1-a]isoquinoline (PubChem CID 164927923) has the molecular formula C50H32N6 and a molecular weight of 716.85 g/mol. Its IUPAC name is 2-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name2-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylpyrazolo[5,1-a]isoquinoline
PubChem CID164927923
Molecular FormulaC50H32N6
Molecular Weight716.85 g/mol
Exact Mass716.27
IUPAC Name2-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4cc5c6ccccc6cc(-c6ccccc6)n5n4)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C50H32N6/c1-3-13-34(14-4-1)46-31-38-17-7-8-18-40(38)47-32-43(54-56(46)47)33-23-25-36(26-24-33)49-51-48(35-15-5-2-6-16-35)52-50(53-49)37-27-29-39(30-28-37)55-44-21-11-9-19-41(44)42-20-10-12-22-45(42)55/h1-32H
InChIKeyIEXACZGXUMGYHU-UHFFFAOYSA-N
XLogP12.10
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.85
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline
CID 164928213
9-(2,6-diphenylpyrimidin-4-yl)-2,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 167328615
9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
9-[4-[4-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole;9-[4-[4-[6-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158785186
1-[3-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 164927869
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 139481204
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815
9-[4-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163590019
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 2-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylpyrazolo[5,1-a]isoquinoline (CID 164927923) is 2-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 2-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 2-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylpyrazolo[5,1-a]isoquinoline is c1ccc(-c2nc(-c3ccc(-c4cc5c6ccccc6cc(-c6ccccc6)n5n4)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 2-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylpyrazolo[5,1-a]isoquinoline?
The InChIKey is IEXACZGXUMGYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6/c1-3-13-34(14-4-1)46-31-38-17-7-8-18-40(38)47-32-43(54-56(46)47)33-23-25-36(26-24-33)49-51-48(35-15-5-2-6-16-35)52-50(53-49)37-27-29-39(30-28-37)55-44-21-11-9-19-41(44)42-20-10-12-22-45(42)55/h1-32H.
What are the key properties of 2-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylpyrazolo[5,1-a]isoquinoline?
2-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylpyrazolo[5,1-a]isoquinoline has a molecular weight of 716.85 g/mol, XLogP of 12.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 164927923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).