2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole

C42H27N7 — CID 58050362

IUPAC2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccn5)n4)c4nn(-c5ccc(-c6ccc7ccccc7c6)cc5)nc4c3)n2)nc1
InChIInChI=1S/C42H27N7/c1-2-10-30-25-31(18-17-28(30)9-1)29-19-21-33(22-20-29)49-47-41-27-32(35-13-7-15-39(45-35)37-11-3-5-23-43-37)26-34(42(41)48-49)36-14-8-16-40(46-36)38-12-4-6-24-44-38/h1-27H
InChIKeyNVISPBZAOCJQKT-UHFFFAOYSA-N
MW629.73 g/mol
LogP9.49
Rot. Bonds6

About 2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole

2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole (PubChem CID 58050362) has the molecular formula C42H27N7 and a molecular weight of 629.73 g/mol. Its IUPAC name is 2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole.

Molecular Properties

Compound Name2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole
PubChem CID58050362
Molecular FormulaC42H27N7
Molecular Weight629.73 g/mol
Exact Mass629.23
IUPAC Name2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccn5)n4)c4nn(-c5ccc(-c6ccc7ccccc7c6)cc5)nc4c3)n2)nc1
InChIInChI=1S/C42H27N7/c1-2-10-30-25-31(18-17-28(30)9-1)29-19-21-33(22-20-29)49-47-41-27-32(35-13-7-15-39(45-35)37-11-3-5-23-43-37)26-34(42(41)48-49)36-14-8-16-40(46-36)38-12-4-6-24-44-38/h1-27H
InChIKeyNVISPBZAOCJQKT-UHFFFAOYSA-N
XLogP9.49
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.73
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-phenylbenzotriazol-5-yl)-9-pyridin-2-yl-1,10-phenanthroline
CID 176785251
2-(3-phenylphenyl)-4,7-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole
CID 58050333
2-[4-(10-phenylanthracen-9-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)benzotriazole
CID 58050360
2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 59273746
4,6-bis(3,5-diphenylphenyl)-2-pyridin-4-ylbenzotriazole;4,6-bis(4-phenylphenyl)-2-pyridin-4-ylbenzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-2-pyridinyl)benzotriazole
CID 159612915
9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine
CID 165383085
4,6-bis(4-phenylphenyl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-1-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-2-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-phenylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole
CID 158708444
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
5-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole
CID 118631091
6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine
CID 165383195
10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine
CID 165382835
4-[4-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)benzotriazol-2-yl]phenyl]quinoline
CID 121381826

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole?
The IUPAC name of 2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole (CID 58050362) is 2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole.
What is the SMILES notation for 2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole?
The canonical SMILES for 2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole is c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccn5)n4)c4nn(-c5ccc(-c6ccc7ccccc7c6)cc5)nc4c3)n2)nc1.
What is the InChIKey of 2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole?
The InChIKey is NVISPBZAOCJQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N7/c1-2-10-30-25-31(18-17-28(30)9-1)29-19-21-33(22-20-29)49-47-41-27-32(35-13-7-15-39(45-35)37-11-3-5-23-43-37)26-34(42(41)48-49)36-14-8-16-40(46-36)38-12-4-6-24-44-38/h1-27H.
What are the key properties of 2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole?
2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole has a molecular weight of 629.73 g/mol, XLogP of 9.49, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole is sourced from PubChem (CID 58050362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).