9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylphenyl)anthracene

C40H32 — CID 123351108

IUPAC9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylphenyl)anthracene
SMILESCC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3ccc(-c4ccccc4)cc3)cc12
InChIInChI=1S/C40H32/c1-40(2,3)39-36-18-10-9-17-34(36)38(33-19-11-15-30-14-7-8-16-32(30)33)35-25-24-31(26-37(35)39)29-22-20-28(21-23-29)27-12-5-4-6-13-27/h4-26H,1-3H3
InChIKeyHZBTYVRVPSYYDY-UHFFFAOYSA-N
MW512.70 g/mol
LogP11.44
Rot. Bonds3

About 9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylphenyl)anthracene

9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylphenyl)anthracene (PubChem CID 123351108) has the molecular formula C40H32 and a molecular weight of 512.70 g/mol. Its IUPAC name is 9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylphenyl)anthracene
PubChem CID123351108
Molecular FormulaC40H32
Molecular Weight512.70 g/mol
Exact Mass512.25
IUPAC Name9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylphenyl)anthracene
SMILESCC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3ccc(-c4ccccc4)cc3)cc12
InChIInChI=1S/C40H32/c1-40(2,3)39-36-18-10-9-17-34(36)38(33-19-11-15-30-14-7-8-16-32(30)33)35-25-24-31(26-37(35)39)29-22-20-28(21-23-29)27-12-5-4-6-13-27/h4-26H,1-3H3
InChIKeyHZBTYVRVPSYYDY-UHFFFAOYSA-N
XLogP11.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.70
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylphenyl)anthracene 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

9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 123978082
9-tert-butyl-2-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-ylanthracene
CID 123878906
9-tert-butyl-2-(3,5-ditert-butylphenyl)-10-naphthalen-1-ylanthracene
CID 123207711
9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-9-ylanthracene
CID 123371385
1-[4-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)phenyl]pyrene
CID 123992521
8-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)fluoranthene
CID 123404270
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045
9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene
CID 123147035
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
18-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 123431893
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
CID 58323636

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylphenyl)anthracene?
The IUPAC name of 9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylphenyl)anthracene (CID 123351108) is 9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylphenyl)anthracene.
What is the SMILES notation for 9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylphenyl)anthracene?
The canonical SMILES for 9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylphenyl)anthracene is CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3ccc(-c4ccccc4)cc3)cc12.
What is the InChIKey of 9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylphenyl)anthracene?
The InChIKey is HZBTYVRVPSYYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32/c1-40(2,3)39-36-18-10-9-17-34(36)38(33-19-11-15-30-14-7-8-16-32(30)33)35-25-24-31(26-37(35)39)29-22-20-28(21-23-29)27-12-5-4-6-13-27/h4-26H,1-3H3.
What are the key properties of 9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylphenyl)anthracene?
9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylphenyl)anthracene has a molecular weight of 512.70 g/mol, XLogP of 11.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylphenyl)anthracene is sourced from PubChem (CID 123351108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).