3-phenyl-2-[12-(1-phenylnaphthalen-2-yl)tetracen-5-yl]-1-benzofuran

C48H30O — CID 88950753

IUPAC3-phenyl-2-[12-(1-phenylnaphthalen-2-yl)tetracen-5-yl]-1-benzofuran
SMILESc1ccc(-c2c(-c3c4ccccc4c(-c4oc5ccccc5c4-c4ccccc4)c4cc5ccccc5cc34)ccc3ccccc23)cc1
InChIInChI=1S/C48H30O/c1-3-16-32(17-4-1)44-36-22-10-9-15-31(36)27-28-40(44)46-37-23-11-12-24-38(37)47(42-30-35-21-8-7-20-34(35)29-41(42)46)48-45(33-18-5-2-6-19-33)39-25-13-14-26-43(39)49-48/h1-30H
InChIKeyCBJDJONRMPASNR-UHFFFAOYSA-N
MW622.77 g/mol
LogP13.71
Rot. Bonds4

About 3-phenyl-2-[12-(1-phenylnaphthalen-2-yl)tetracen-5-yl]-1-benzofuran

3-phenyl-2-[12-(1-phenylnaphthalen-2-yl)tetracen-5-yl]-1-benzofuran (PubChem CID 88950753) has the molecular formula C48H30O and a molecular weight of 622.77 g/mol. Its IUPAC name is 3-phenyl-2-[12-(1-phenylnaphthalen-2-yl)tetracen-5-yl]-1-benzofuran.

Molecular Properties

Compound Name3-phenyl-2-[12-(1-phenylnaphthalen-2-yl)tetracen-5-yl]-1-benzofuran
PubChem CID88950753
Molecular FormulaC48H30O
Molecular Weight622.77 g/mol
Exact Mass622.23
IUPAC Name3-phenyl-2-[12-(1-phenylnaphthalen-2-yl)tetracen-5-yl]-1-benzofuran
SMILESc1ccc(-c2c(-c3c4ccccc4c(-c4oc5ccccc5c4-c4ccccc4)c4cc5ccccc5cc34)ccc3ccccc23)cc1
InChIInChI=1S/C48H30O/c1-3-16-32(17-4-1)44-36-22-10-9-15-31(36)27-28-40(44)46-37-23-11-12-24-38(37)47(42-30-35-21-8-7-20-34(35)29-41(42)46)48-45(33-18-5-2-6-19-33)39-25-13-14-26-43(39)49-48/h1-30H
InChIKeyCBJDJONRMPASNR-UHFFFAOYSA-N
XLogP13.71
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.77
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-phenyl-2-[12-(1-phenylnaphthalen-2-yl)tetracen-5-yl]-1-benzofuran 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

5,12-bis(1-phenylnaphthalen-2-yl)tetracene
CID 123352239
4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran
CID 155334125
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran
CID 121336223
2-(10-dibenzofuran-1-ylanthracen-9-yl)-1-phenylbenzo[e][1]benzofuran
CID 174307533
1,2-diphenylnaphthalene
CID 11208267
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
2-naphthalen-2-yl-1-phenyl-5-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
CID 176744529
9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413167
2-(10-dibenzofuran-4-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[6,5-b][1]benzofuran
CID 176743887
2-naphthalen-2-yl-1-phenyl-5-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
CID 176745941
N-(4-naphthalen-1-ylphenyl)-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-2-amine
CID 170400161
2-[3-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[10-(1-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran;2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 160748852

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[12-(1-phenylnaphthalen-2-yl)tetracen-5-yl]-1-benzofuran?
The IUPAC name of 3-phenyl-2-[12-(1-phenylnaphthalen-2-yl)tetracen-5-yl]-1-benzofuran (CID 88950753) is 3-phenyl-2-[12-(1-phenylnaphthalen-2-yl)tetracen-5-yl]-1-benzofuran.
What is the SMILES notation for 3-phenyl-2-[12-(1-phenylnaphthalen-2-yl)tetracen-5-yl]-1-benzofuran?
The canonical SMILES for 3-phenyl-2-[12-(1-phenylnaphthalen-2-yl)tetracen-5-yl]-1-benzofuran is c1ccc(-c2c(-c3c4ccccc4c(-c4oc5ccccc5c4-c4ccccc4)c4cc5ccccc5cc34)ccc3ccccc23)cc1.
What is the InChIKey of 3-phenyl-2-[12-(1-phenylnaphthalen-2-yl)tetracen-5-yl]-1-benzofuran?
The InChIKey is CBJDJONRMPASNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O/c1-3-16-32(17-4-1)44-36-22-10-9-15-31(36)27-28-40(44)46-37-23-11-12-24-38(37)47(42-30-35-21-8-7-20-34(35)29-41(42)46)48-45(33-18-5-2-6-19-33)39-25-13-14-26-43(39)49-48/h1-30H.
What are the key properties of 3-phenyl-2-[12-(1-phenylnaphthalen-2-yl)tetracen-5-yl]-1-benzofuran?
3-phenyl-2-[12-(1-phenylnaphthalen-2-yl)tetracen-5-yl]-1-benzofuran has a molecular weight of 622.77 g/mol, XLogP of 13.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[12-(1-phenylnaphthalen-2-yl)tetracen-5-yl]-1-benzofuran is sourced from PubChem (CID 88950753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).