4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine

C40H32N2 — CID 58568828

IUPAC4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
SMILESCC(C)(C)c1ccc2c(-c3ccc(-c4ccncc4)cc3)c3ccccc3c(-c3ccc(-c4ccncc4)cc3)c2c1
InChIInChI=1S/C40H32N2/c1-40(2,3)33-16-17-36-37(26-33)39(32-14-10-28(11-15-32)30-20-24-42-25-21-30)35-7-5-4-6-34(35)38(36)31-12-8-27(9-13-31)29-18-22-41-23-19-29/h4-26H,1-3H3
InChIKeyZASVHVCIFCCABN-UHFFFAOYSA-N
MW540.71 g/mol
LogP10.75
Rot. Bonds4

About 4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine

4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine (PubChem CID 58568828) has the molecular formula C40H32N2 and a molecular weight of 540.71 g/mol. Its IUPAC name is 4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine.

Molecular Properties

Compound Name4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
PubChem CID58568828
Molecular FormulaC40H32N2
Molecular Weight540.71 g/mol
Exact Mass540.26
IUPAC Name4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
SMILESCC(C)(C)c1ccc2c(-c3ccc(-c4ccncc4)cc3)c3ccccc3c(-c3ccc(-c4ccncc4)cc3)c2c1
InChIInChI=1S/C40H32N2/c1-40(2,3)33-16-17-36-37(26-33)39(32-14-10-28(11-15-32)30-20-24-42-25-21-30)35-7-5-4-6-34(35)38(36)31-12-8-27(9-13-31)29-18-22-41-23-19-29/h4-26H,1-3H3
InChIKeyZASVHVCIFCCABN-UHFFFAOYSA-N
XLogP10.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.71
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

4-[7-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine
CID 88554710
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356
2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene
CID 58672219
2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
CID 59745944
2,6-ditert-butyl-9,10-bis(4-methylphenyl)anthracene;ethane
CID 144640372
2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140869785
4-[10-(4-aminophenyl)-2,6-ditert-butylanthracen-9-yl]aniline
CID 144640366
2-tert-butyl-6-(4-methoxyphenyl)-9,10-bis(4-phenylphenyl)anthracene
CID 59002256
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806
2,8-ditert-butyl-6,12-bis(4-methylphenyl)-5,11-diphenyltetracene
CID 162426507
4-[10-[4-(4-chrysen-6-ylphenyl)phenyl]anthracen-9-yl]pyridine
CID 88868967
4-[9,18-bis(4-tert-butylphenyl)-22-pyridin-4-yl-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl]pyridine
CID 58738519

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine?
The IUPAC name of 4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine (CID 58568828) is 4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine.
What is the SMILES notation for 4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine?
The canonical SMILES for 4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine is CC(C)(C)c1ccc2c(-c3ccc(-c4ccncc4)cc3)c3ccccc3c(-c3ccc(-c4ccncc4)cc3)c2c1.
What is the InChIKey of 4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine?
The InChIKey is ZASVHVCIFCCABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N2/c1-40(2,3)33-16-17-36-37(26-33)39(32-14-10-28(11-15-32)30-20-24-42-25-21-30)35-7-5-4-6-34(35)38(36)31-12-8-27(9-13-31)29-18-22-41-23-19-29/h4-26H,1-3H3.
What are the key properties of 4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine?
4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine has a molecular weight of 540.71 g/mol, XLogP of 10.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine is sourced from PubChem (CID 58568828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).