1-(5-naphthalen-1-yl-6-phenyltriazin-4-yl)indolo[3,2-c]carbazole

C37H21N5 — CID 175875644

IUPAC1-(5-naphthalen-1-yl-6-phenyltriazin-4-yl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2nnnc(-c3cccc4c3-c3c5c(ccc3=N4)=c3ccccc3=N5)c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C37H21N5/c1-2-11-23(12-3-1)35-33(26-16-8-13-22-10-4-5-14-24(22)26)37(41-42-40-35)28-17-9-19-30-32(28)34-31(38-30)21-20-27-25-15-6-7-18-29(25)39-36(27)34/h1-21H
InChIKeyATAWXPIJFRQNPG-UHFFFAOYSA-N
MW535.61 g/mol
LogP7.51
Rot. Bonds3

About 1-(5-naphthalen-1-yl-6-phenyltriazin-4-yl)indolo[3,2-c]carbazole

1-(5-naphthalen-1-yl-6-phenyltriazin-4-yl)indolo[3,2-c]carbazole (PubChem CID 175875644) has the molecular formula C37H21N5 and a molecular weight of 535.61 g/mol. Its IUPAC name is 1-(5-naphthalen-1-yl-6-phenyltriazin-4-yl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name1-(5-naphthalen-1-yl-6-phenyltriazin-4-yl)indolo[3,2-c]carbazole
PubChem CID175875644
Molecular FormulaC37H21N5
Molecular Weight535.61 g/mol
Exact Mass535.18
IUPAC Name1-(5-naphthalen-1-yl-6-phenyltriazin-4-yl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2nnnc(-c3cccc4c3-c3c5c(ccc3=N4)=c3ccccc3=N5)c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C37H21N5/c1-2-11-23(12-3-1)35-33(26-16-8-13-22-10-4-5-14-24(22)26)37(41-42-40-35)28-17-9-19-30-32(28)34-31(38-30)21-20-27-25-15-6-7-18-29(25)39-36(27)34/h1-21H
InChIKeyATAWXPIJFRQNPG-UHFFFAOYSA-N
XLogP7.51
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.61
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-phenyl-6-(2-phenylphenyl)triazin-4-yl]indolo[3,2-c]carbazole
CID 171060205
1-(2,3-dinaphthalen-1-ylphenyl)-2-phenylindolo[3,2-c]carbazole
CID 166134514
1-[5-(9H-fluoren-1-yl)-6-phenyltriazin-4-yl]-2-phenylindolo[3,2-c]carbazole
CID 166134637
1-[2-(2-phenylphenyl)phenyl]-2-(4-phenylquinazolin-2-yl)indolo[3,2-c]carbazole
CID 166133828
1-(2-naphthalen-1-yl-9H-carbazol-1-yl)-2-phenylindolo[3,2-c]carbazole
CID 166135019
3,4-ditert-butyl-2-phenyl-1-[6-phenyl-5-[2-(2-phenylphenyl)phenyl]triazin-4-yl]indolo[3,2-c]carbazole
CID 166134634
2-phenyl-1-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]indolo[3,2-c]carbazole
CID 166134906
1,2-bis(2-phenyl-9H-carbazol-1-yl)indolo[3,2-c]carbazole
CID 166135047
3,4-dinaphthalen-1-yl-2-phenyl-1-[6-phenyl-5-(2-phenylphenyl)triazin-4-yl]indeno[2,1-a]carbazole
CID 166134118
4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine
CID 171060190
5-dibenzofuran-1-yl-4,6-diphenyltriazine
CID 175810934
4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
CID 166134551

Frequently Asked Questions

What is the IUPAC name of 1-(5-naphthalen-1-yl-6-phenyltriazin-4-yl)indolo[3,2-c]carbazole?
The IUPAC name of 1-(5-naphthalen-1-yl-6-phenyltriazin-4-yl)indolo[3,2-c]carbazole (CID 175875644) is 1-(5-naphthalen-1-yl-6-phenyltriazin-4-yl)indolo[3,2-c]carbazole.
What is the SMILES notation for 1-(5-naphthalen-1-yl-6-phenyltriazin-4-yl)indolo[3,2-c]carbazole?
The canonical SMILES for 1-(5-naphthalen-1-yl-6-phenyltriazin-4-yl)indolo[3,2-c]carbazole is c1ccc(-c2nnnc(-c3cccc4c3-c3c5c(ccc3=N4)=c3ccccc3=N5)c2-c2cccc3ccccc23)cc1.
What is the InChIKey of 1-(5-naphthalen-1-yl-6-phenyltriazin-4-yl)indolo[3,2-c]carbazole?
The InChIKey is ATAWXPIJFRQNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N5/c1-2-11-23(12-3-1)35-33(26-16-8-13-22-10-4-5-14-24(22)26)37(41-42-40-35)28-17-9-19-30-32(28)34-31(38-30)21-20-27-25-15-6-7-18-29(25)39-36(27)34/h1-21H.
What are the key properties of 1-(5-naphthalen-1-yl-6-phenyltriazin-4-yl)indolo[3,2-c]carbazole?
1-(5-naphthalen-1-yl-6-phenyltriazin-4-yl)indolo[3,2-c]carbazole has a molecular weight of 535.61 g/mol, XLogP of 7.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-naphthalen-1-yl-6-phenyltriazin-4-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 175875644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).