2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene

C38H26 — CID 143742939

IUPAC2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene
SMILESC=Cc1ccc(-c2ccc3c(ccc4cc(-c5cc6ccccc6c6ccccc56)ccc43)c2)cc1C=C
InChIInChI=1S/C38H26/c1-3-25-13-14-27(21-26(25)4-2)28-17-19-34-30(22-28)15-16-31-23-32(18-20-35(31)34)38-24-29-9-5-6-10-33(29)36-11-7-8-12-37(36)38/h3-24H,1-2H2
InChIKeyQBYHXKCTPYRYKA-UHFFFAOYSA-N
MW482.63 g/mol
LogP10.92
Rot. Bonds4

About 2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene

2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene (PubChem CID 143742939) has the molecular formula C38H26 and a molecular weight of 482.63 g/mol. Its IUPAC name is 2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene.

Molecular Properties

Compound Name2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene
PubChem CID143742939
Molecular FormulaC38H26
Molecular Weight482.63 g/mol
Exact Mass482.20
IUPAC Name2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene
SMILESC=Cc1ccc(-c2ccc3c(ccc4cc(-c5cc6ccccc6c6ccccc56)ccc43)c2)cc1C=C
InChIInChI=1S/C38H26/c1-3-25-13-14-27(21-26(25)4-2)28-17-19-34-30(22-28)15-16-31-23-32(18-20-35(31)34)38-24-29-9-5-6-10-33(29)36-11-7-8-12-37(36)38/h3-24H,1-2H2
InChIKeyQBYHXKCTPYRYKA-UHFFFAOYSA-N
XLogP10.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene 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 2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene?
The IUPAC name of 2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene (CID 143742939) is 2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene.
What is the SMILES notation for 2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene?
The canonical SMILES for 2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene is C=Cc1ccc(-c2ccc3c(ccc4cc(-c5cc6ccccc6c6ccccc56)ccc43)c2)cc1C=C.
What is the InChIKey of 2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene?
The InChIKey is QBYHXKCTPYRYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26/c1-3-25-13-14-27(21-26(25)4-2)28-17-19-34-30(22-28)15-16-31-23-32(18-20-35(31)34)38-24-29-9-5-6-10-33(29)36-11-7-8-12-37(36)38/h3-24H,1-2H2.
What are the key properties of 2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene?
2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene has a molecular weight of 482.63 g/mol, XLogP of 10.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene is sourced from PubChem (CID 143742939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).