5-[6-(benzotriazol-2-yl)naphthalen-2-yl]-2-naphthalen-1-ylbenzotriazole

C32H20N6 — CID 146647723

IUPAC5-[6-(benzotriazol-2-yl)naphthalen-2-yl]-2-naphthalen-1-ylbenzotriazole
SMILESc1ccc2c(-n3nc4ccc(-c5ccc6cc(-n7nc8ccccc8n7)ccc6c5)cc4n3)cccc2c1
InChIInChI=1S/C32H20N6/c1-2-8-27-21(6-1)7-5-11-32(27)38-35-30-17-15-25(20-31(30)36-38)22-12-13-24-19-26(16-14-23(24)18-22)37-33-28-9-3-4-10-29(28)34-37/h1-20H
InChIKeyCTGTYERVWQBAQP-UHFFFAOYSA-N
MW488.55 g/mol
LogP7.13
Rot. Bonds3

About 5-[6-(benzotriazol-2-yl)naphthalen-2-yl]-2-naphthalen-1-ylbenzotriazole

5-[6-(benzotriazol-2-yl)naphthalen-2-yl]-2-naphthalen-1-ylbenzotriazole (PubChem CID 146647723) has the molecular formula C32H20N6 and a molecular weight of 488.55 g/mol. Its IUPAC name is 5-[6-(benzotriazol-2-yl)naphthalen-2-yl]-2-naphthalen-1-ylbenzotriazole.

Molecular Properties

Compound Name5-[6-(benzotriazol-2-yl)naphthalen-2-yl]-2-naphthalen-1-ylbenzotriazole
PubChem CID146647723
Molecular FormulaC32H20N6
Molecular Weight488.55 g/mol
Exact Mass488.17
IUPAC Name5-[6-(benzotriazol-2-yl)naphthalen-2-yl]-2-naphthalen-1-ylbenzotriazole
SMILESc1ccc2c(-n3nc4ccc(-c5ccc6cc(-n7nc8ccccc8n7)ccc6c5)cc4n3)cccc2c1
InChIInChI=1S/C32H20N6/c1-2-8-27-21(6-1)7-5-11-32(27)38-35-30-17-15-25(20-31(30)36-38)22-12-13-24-19-26(16-14-23(24)18-22)37-33-28-9-3-4-10-29(28)34-37/h1-20H
InChIKeyCTGTYERVWQBAQP-UHFFFAOYSA-N
XLogP7.13
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.55
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3,5-di(dibenzofuran-1-yl)phenyl]-2-naphthalen-2-ylbenzotriazole
CID 164740346
4-[4-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)benzotriazol-2-yl]phenyl]quinoline
CID 121381826
9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 164975300
2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole
CID 58050362
10-(4-benzo[e]benzotriazol-2-ylphenyl)phenoxazine
CID 118429761
3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 162264966
5-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole
CID 118631091
5-naphthalen-1-yl-7-(4-naphthalen-2-ylphenyl)indolo[2,3-b]carbazole
CID 170929713
N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)-2-naphthalen-1-ylbenzotriazol-5-amine
CID 118429864
iridium;bis(2-naphthalen-1-yl-4-(trifluoromethyl)benzotriazole);1-[5-(trifluoromethyl)benzotriazol-2-yl]naphthalen-2-ol
CID 25032913
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 159472470
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 160549221

Frequently Asked Questions

What is the IUPAC name of 5-[6-(benzotriazol-2-yl)naphthalen-2-yl]-2-naphthalen-1-ylbenzotriazole?
The IUPAC name of 5-[6-(benzotriazol-2-yl)naphthalen-2-yl]-2-naphthalen-1-ylbenzotriazole (CID 146647723) is 5-[6-(benzotriazol-2-yl)naphthalen-2-yl]-2-naphthalen-1-ylbenzotriazole.
What is the SMILES notation for 5-[6-(benzotriazol-2-yl)naphthalen-2-yl]-2-naphthalen-1-ylbenzotriazole?
The canonical SMILES for 5-[6-(benzotriazol-2-yl)naphthalen-2-yl]-2-naphthalen-1-ylbenzotriazole is c1ccc2c(-n3nc4ccc(-c5ccc6cc(-n7nc8ccccc8n7)ccc6c5)cc4n3)cccc2c1.
What is the InChIKey of 5-[6-(benzotriazol-2-yl)naphthalen-2-yl]-2-naphthalen-1-ylbenzotriazole?
The InChIKey is CTGTYERVWQBAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N6/c1-2-8-27-21(6-1)7-5-11-32(27)38-35-30-17-15-25(20-31(30)36-38)22-12-13-24-19-26(16-14-23(24)18-22)37-33-28-9-3-4-10-29(28)34-37/h1-20H.
What are the key properties of 5-[6-(benzotriazol-2-yl)naphthalen-2-yl]-2-naphthalen-1-ylbenzotriazole?
5-[6-(benzotriazol-2-yl)naphthalen-2-yl]-2-naphthalen-1-ylbenzotriazole has a molecular weight of 488.55 g/mol, XLogP of 7.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(benzotriazol-2-yl)naphthalen-2-yl]-2-naphthalen-1-ylbenzotriazole is sourced from PubChem (CID 146647723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).