5,12-bis(3-naphthalen-2-ylphenyl)tetracene

C50H32 — CID 58434984

IUPAC5,12-bis(3-naphthalen-2-ylphenyl)tetracene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c3cc4ccccc4cc23)c1
InChIInChI=1S/C50H32/c1-3-13-35-27-41(25-23-33(35)11-1)37-17-9-19-43(29-37)49-45-21-7-8-22-46(45)50(48-32-40-16-6-5-15-39(40)31-47(48)49)44-20-10-18-38(30-44)42-26-24-34-12-2-4-14-36(34)28-42/h1-32H
InChIKeyLADUOUCWTOATIT-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 5,12-bis(3-naphthalen-2-ylphenyl)tetracene

5,12-bis(3-naphthalen-2-ylphenyl)tetracene (PubChem CID 58434984) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 5,12-bis(3-naphthalen-2-ylphenyl)tetracene.

Molecular Properties

Compound Name5,12-bis(3-naphthalen-2-ylphenyl)tetracene
PubChem CID58434984
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name5,12-bis(3-naphthalen-2-ylphenyl)tetracene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c3cc4ccccc4cc23)c1
InChIInChI=1S/C50H32/c1-3-13-35-27-41(25-23-33(35)11-1)37-17-9-19-43(29-37)49-45-21-7-8-22-46(45)50(48-32-40-16-6-5-15-39(40)31-47(48)49)44-20-10-18-38(30-44)42-26-24-34-12-2-4-14-36(34)28-42/h1-32H
InChIKeyLADUOUCWTOATIT-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,12-bis(3-naphthalen-2-ylphenyl)tetracene 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-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenylanthracene;9-phenyl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 161401825
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene
CID 58194491
9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367

Frequently Asked Questions

What is the IUPAC name of 5,12-bis(3-naphthalen-2-ylphenyl)tetracene?
The IUPAC name of 5,12-bis(3-naphthalen-2-ylphenyl)tetracene (CID 58434984) is 5,12-bis(3-naphthalen-2-ylphenyl)tetracene.
What is the SMILES notation for 5,12-bis(3-naphthalen-2-ylphenyl)tetracene?
The canonical SMILES for 5,12-bis(3-naphthalen-2-ylphenyl)tetracene is c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c3cc4ccccc4cc23)c1.
What is the InChIKey of 5,12-bis(3-naphthalen-2-ylphenyl)tetracene?
The InChIKey is LADUOUCWTOATIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-3-13-35-27-41(25-23-33(35)11-1)37-17-9-19-43(29-37)49-45-21-7-8-22-46(45)50(48-32-40-16-6-5-15-39(40)31-47(48)49)44-20-10-18-38(30-44)42-26-24-34-12-2-4-14-36(34)28-42/h1-32H.
What are the key properties of 5,12-bis(3-naphthalen-2-ylphenyl)tetracene?
5,12-bis(3-naphthalen-2-ylphenyl)tetracene has a molecular weight of 632.81 g/mol, XLogP of 14.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis(3-naphthalen-2-ylphenyl)tetracene is sourced from PubChem (CID 58434984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).