5-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole

C37H24N4 — CID 118631091

IUPAC5-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole
SMILESc1cc(-c2ccncc2)cc(-n2nc3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc4c3n2)c1
InChIInChI=1S/C37H24N4/c1-2-7-29-22-31(17-14-25(29)6-1)26-12-15-28(16-13-26)35-24-36-37(34-11-4-3-10-33(34)35)40-41(39-36)32-9-5-8-30(23-32)27-18-20-38-21-19-27/h1-24H
InChIKeyCWQMMSBFWSYMQQ-UHFFFAOYSA-N
MW524.63 g/mol
LogP9.12
Rot. Bonds4

About 5-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole

5-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole (PubChem CID 118631091) has the molecular formula C37H24N4 and a molecular weight of 524.63 g/mol. Its IUPAC name is 5-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole.

Molecular Properties

Compound Name5-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole
PubChem CID118631091
Molecular FormulaC37H24N4
Molecular Weight524.63 g/mol
Exact Mass524.20
IUPAC Name5-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole
SMILESc1cc(-c2ccncc2)cc(-n2nc3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc4c3n2)c1
InChIInChI=1S/C37H24N4/c1-2-7-29-22-31(17-14-25(29)6-1)26-12-15-28(16-13-26)35-24-36-37(34-11-4-3-10-33(34)35)40-41(39-36)32-9-5-8-30(23-32)27-18-20-38-21-19-27/h1-24H
InChIKeyCWQMMSBFWSYMQQ-UHFFFAOYSA-N
XLogP9.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.63
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(10-naphthalen-2-ylanthracen-9-yl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole
CID 118629727
4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 89001182
5-(9,9-dimethylfluoren-2-yl)-2-(3-pyridin-3-ylphenyl)benzo[e]benzotriazole
CID 118631088
4,6-bis(10-phenylanthracen-9-yl)-2-(3-pyridin-3-ylphenyl)benzotriazole;5-[3-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyridin-3-ylphenyl)benzotriazole;5-[4-(10-phenylanthracen-9-yl)phenyl]-2-(3-pyridin-3-ylphenyl)benzotriazole;5-[4-(10-phenylanthracen-9-yl)phenyl]-2-(3-pyridin-4-ylphenyl)benzotriazole;5-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyridin-3-ylphenyl)benzotriazole;5-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyridin-4-ylphenyl)benzotriazole
CID 157100757
5-[4-[3-(benzotriazol-2-yl)phenyl]phenyl]-2,9-diphenyl-1,10-phenanthroline
CID 176785106
5-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole
CID 118629755
5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole;5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-3-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-4-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-3-pyridinyl)benzo[e]benzotriazole;5-(10-pyridin-3-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;2-(3-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole;2-(4-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole
CID 158403490
5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole
CID 118629742
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
5-(9,10-diphenylanthracen-2-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole
CID 141416223
2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)benzotriazole
CID 58050362
5-(9,10-diphenylanthracen-2-yl)-2-(4-pyridin-4-ylphenyl)benzotriazole
CID 90347120

Frequently Asked Questions

What is the IUPAC name of 5-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole?
The IUPAC name of 5-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole (CID 118631091) is 5-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole.
What is the SMILES notation for 5-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole?
The canonical SMILES for 5-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole is c1cc(-c2ccncc2)cc(-n2nc3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc4c3n2)c1.
What is the InChIKey of 5-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole?
The InChIKey is CWQMMSBFWSYMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N4/c1-2-7-29-22-31(17-14-25(29)6-1)26-12-15-28(16-13-26)35-24-36-37(34-11-4-3-10-33(34)35)40-41(39-36)32-9-5-8-30(23-32)27-18-20-38-21-19-27/h1-24H.
What are the key properties of 5-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole?
5-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole has a molecular weight of 524.63 g/mol, XLogP of 9.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole is sourced from PubChem (CID 118631091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).