2-(3-phenylphenyl)-4,7-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole

C38H25N7 — CID 58050333

IUPAC2-(3-phenylphenyl)-4,7-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole
SMILESc1ccc(-c2cccc(-n3nc4c(-c5cccc(-c6ccccn6)n5)ccc(-c5cccc(-c6ccccn6)n5)c4n3)c2)cc1
InChIInChI=1S/C38H25N7/c1-2-11-26(12-3-1)27-13-8-14-28(25-27)45-43-37-29(31-17-9-19-35(41-31)33-15-4-6-23-39-33)21-22-30(38(37)44-45)32-18-10-20-36(42-32)34-16-5-7-24-40-34/h1-25H
InChIKeyOSHUKACPTLMGIZ-UHFFFAOYSA-N
MW579.67 g/mol
LogP8.34
Rot. Bonds6

About 2-(3-phenylphenyl)-4,7-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole

2-(3-phenylphenyl)-4,7-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole (PubChem CID 58050333) has the molecular formula C38H25N7 and a molecular weight of 579.67 g/mol. Its IUPAC name is 2-(3-phenylphenyl)-4,7-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole.

Molecular Properties

Compound Name2-(3-phenylphenyl)-4,7-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole
PubChem CID58050333
Molecular FormulaC38H25N7
Molecular Weight579.67 g/mol
Exact Mass579.22
IUPAC Name2-(3-phenylphenyl)-4,7-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole
SMILESc1ccc(-c2cccc(-n3nc4c(-c5cccc(-c6ccccn6)n5)ccc(-c5cccc(-c6ccccn6)n5)c4n3)c2)cc1
InChIInChI=1S/C38H25N7/c1-2-11-26(12-3-1)27-13-8-14-28(25-27)45-43-37-29(31-17-9-19-35(41-31)33-15-4-6-23-39-33)21-22-30(38(37)44-45)32-18-10-20-36(42-32)34-16-5-7-24-40-34/h1-25H
InChIKeyOSHUKACPTLMGIZ-UHFFFAOYSA-N
XLogP8.34
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.67
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole
CID 58050362
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
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
2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)
CID 161405876
iridium(3+);2-phenyl-6-pyridin-2-ylpyridine
CID 159332179
8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine;2,4,6-triphenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)triazolo[4,5-k]phenanthridine
CID 167596003
2,4-diphenyl-6-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine
CID 164817201
4-phenyl-2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-2-ylpyridine;2-pyridin-2-yl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyridine
CID 158535696
2-(2-phenylbenzotriazol-5-yl)-9-pyridin-2-yl-1,10-phenanthroline
CID 176785251
2-[4-(10-phenylanthracen-9-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)benzotriazole
CID 58050360
9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine
CID 165383085

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylphenyl)-4,7-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole?
The IUPAC name of 2-(3-phenylphenyl)-4,7-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole (CID 58050333) is 2-(3-phenylphenyl)-4,7-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole.
What is the SMILES notation for 2-(3-phenylphenyl)-4,7-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole?
The canonical SMILES for 2-(3-phenylphenyl)-4,7-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole is c1ccc(-c2cccc(-n3nc4c(-c5cccc(-c6ccccn6)n5)ccc(-c5cccc(-c6ccccn6)n5)c4n3)c2)cc1.
What is the InChIKey of 2-(3-phenylphenyl)-4,7-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole?
The InChIKey is OSHUKACPTLMGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N7/c1-2-11-26(12-3-1)27-13-8-14-28(25-27)45-43-37-29(31-17-9-19-35(41-31)33-15-4-6-23-39-33)21-22-30(38(37)44-45)32-18-10-20-36(42-32)34-16-5-7-24-40-34/h1-25H.
What are the key properties of 2-(3-phenylphenyl)-4,7-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole?
2-(3-phenylphenyl)-4,7-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole has a molecular weight of 579.67 g/mol, XLogP of 8.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylphenyl)-4,7-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole is sourced from PubChem (CID 58050333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).