4-phenyl-7-[4-(7-phenyl-2-pyridin-4-ylbenzotriazol-4-yl)phenyl]-2-pyridin-4-ylbenzotriazole

C40H26N8 — CID 89456182

IUPAC4-phenyl-7-[4-(7-phenyl-2-pyridin-4-ylbenzotriazol-4-yl)phenyl]-2-pyridin-4-ylbenzotriazole
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)c5nn(-c6ccncc6)nc45)cc3)c3nn(-c4ccncc4)nc23)cc1
InChIInChI=1S/C40H26N8/c1-3-7-27(8-4-1)33-15-17-35(39-37(33)43-47(45-39)31-19-23-41-24-20-31)29-11-13-30(14-12-29)36-18-16-34(28-9-5-2-6-10-28)38-40(36)46-48(44-38)32-21-25-42-26-22-32/h1-26H
InChIKeyULTDHFBBGVOWDM-UHFFFAOYSA-N
MW618.70 g/mol
LogP8.61
Rot. Bonds6

About 4-phenyl-7-[4-(7-phenyl-2-pyridin-4-ylbenzotriazol-4-yl)phenyl]-2-pyridin-4-ylbenzotriazole

4-phenyl-7-[4-(7-phenyl-2-pyridin-4-ylbenzotriazol-4-yl)phenyl]-2-pyridin-4-ylbenzotriazole (PubChem CID 89456182) has the molecular formula C40H26N8 and a molecular weight of 618.70 g/mol. Its IUPAC name is 4-phenyl-7-[4-(7-phenyl-2-pyridin-4-ylbenzotriazol-4-yl)phenyl]-2-pyridin-4-ylbenzotriazole.

Molecular Properties

Compound Name4-phenyl-7-[4-(7-phenyl-2-pyridin-4-ylbenzotriazol-4-yl)phenyl]-2-pyridin-4-ylbenzotriazole
PubChem CID89456182
Molecular FormulaC40H26N8
Molecular Weight618.70 g/mol
Exact Mass618.23
IUPAC Name4-phenyl-7-[4-(7-phenyl-2-pyridin-4-ylbenzotriazol-4-yl)phenyl]-2-pyridin-4-ylbenzotriazole
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)c5nn(-c6ccncc6)nc45)cc3)c3nn(-c4ccncc4)nc23)cc1
InChIInChI=1S/C40H26N8/c1-3-7-27(8-4-1)33-15-17-35(39-37(33)43-47(45-39)31-19-23-41-24-20-31)29-11-13-30(14-12-29)36-18-16-34(28-9-5-2-6-10-28)38-40(36)46-48(44-38)32-21-25-42-26-22-32/h1-26H
InChIKeyULTDHFBBGVOWDM-UHFFFAOYSA-N
XLogP8.61
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.70
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-phenyl-7-[4-(7-phenyl-2-pyridin-4-ylbenzotriazol-4-yl)phenyl]-2-pyridin-4-ylbenzotriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-7-[4-(7-phenyl-2-pyridin-4-ylbenzotriazol-4-yl)phenyl]-2-pyridin-4-ylbenzotriazole?
The IUPAC name of 4-phenyl-7-[4-(7-phenyl-2-pyridin-4-ylbenzotriazol-4-yl)phenyl]-2-pyridin-4-ylbenzotriazole (CID 89456182) is 4-phenyl-7-[4-(7-phenyl-2-pyridin-4-ylbenzotriazol-4-yl)phenyl]-2-pyridin-4-ylbenzotriazole.
What is the SMILES notation for 4-phenyl-7-[4-(7-phenyl-2-pyridin-4-ylbenzotriazol-4-yl)phenyl]-2-pyridin-4-ylbenzotriazole?
The canonical SMILES for 4-phenyl-7-[4-(7-phenyl-2-pyridin-4-ylbenzotriazol-4-yl)phenyl]-2-pyridin-4-ylbenzotriazole is c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)c5nn(-c6ccncc6)nc45)cc3)c3nn(-c4ccncc4)nc23)cc1.
What is the InChIKey of 4-phenyl-7-[4-(7-phenyl-2-pyridin-4-ylbenzotriazol-4-yl)phenyl]-2-pyridin-4-ylbenzotriazole?
The InChIKey is ULTDHFBBGVOWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N8/c1-3-7-27(8-4-1)33-15-17-35(39-37(33)43-47(45-39)31-19-23-41-24-20-31)29-11-13-30(14-12-29)36-18-16-34(28-9-5-2-6-10-28)38-40(36)46-48(44-38)32-21-25-42-26-22-32/h1-26H.
What are the key properties of 4-phenyl-7-[4-(7-phenyl-2-pyridin-4-ylbenzotriazol-4-yl)phenyl]-2-pyridin-4-ylbenzotriazole?
4-phenyl-7-[4-(7-phenyl-2-pyridin-4-ylbenzotriazol-4-yl)phenyl]-2-pyridin-4-ylbenzotriazole has a molecular weight of 618.70 g/mol, XLogP of 8.61, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-7-[4-(7-phenyl-2-pyridin-4-ylbenzotriazol-4-yl)phenyl]-2-pyridin-4-ylbenzotriazole is sourced from PubChem (CID 89456182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).