2-[4-(4-iodophenyl)phenyl]-7-[4-[(E)-1-(2-iodophenyl)prop-1-en-2-yl]phenyl]naphthalene

C37H26I2 — CID 170291260

IUPAC2-[4-(4-iodophenyl)phenyl]-7-[4-[(E)-1-(2-iodophenyl)prop-1-en-2-yl]phenyl]naphthalene
SMILESC/C(=C\c1ccccc1I)c1ccc(-c2ccc3ccc(-c4ccc(-c5ccc(I)cc5)cc4)cc3c2)cc1
InChIInChI=1S/C37H26I2/c1-25(22-34-4-2-3-5-37(34)39)26-6-8-29(9-7-26)32-16-14-31-15-17-33(24-35(31)23-32)30-12-10-27(11-13-30)28-18-20-36(38)21-19-28/h2-24H,1H3/b25-22+
InChIKeyHNGKGYZADMJSCP-YYDJUVGSSA-N
MW724.42 g/mol
LogP11.61
Rot. Bonds5

About 2-[4-(4-iodophenyl)phenyl]-7-[4-[(E)-1-(2-iodophenyl)prop-1-en-2-yl]phenyl]naphthalene

2-[4-(4-iodophenyl)phenyl]-7-[4-[(E)-1-(2-iodophenyl)prop-1-en-2-yl]phenyl]naphthalene (PubChem CID 170291260) has the molecular formula C37H26I2 and a molecular weight of 724.42 g/mol. Its IUPAC name is 2-[4-(4-iodophenyl)phenyl]-7-[4-[(E)-1-(2-iodophenyl)prop-1-en-2-yl]phenyl]naphthalene.

Molecular Properties

Compound Name2-[4-(4-iodophenyl)phenyl]-7-[4-[(E)-1-(2-iodophenyl)prop-1-en-2-yl]phenyl]naphthalene
PubChem CID170291260
Molecular FormulaC37H26I2
Molecular Weight724.42 g/mol
Exact Mass724.01
IUPAC Name2-[4-(4-iodophenyl)phenyl]-7-[4-[(E)-1-(2-iodophenyl)prop-1-en-2-yl]phenyl]naphthalene
SMILESC/C(=C\c1ccccc1I)c1ccc(-c2ccc3ccc(-c4ccc(-c5ccc(I)cc5)cc4)cc3c2)cc1
InChIInChI=1S/C37H26I2/c1-25(22-34-4-2-3-5-37(34)39)26-6-8-29(9-7-26)32-16-14-31-15-17-33(24-35(31)23-32)30-12-10-27(11-13-30)28-18-20-36(38)21-19-28/h2-24H,1H3/b25-22+
InChIKeyHNGKGYZADMJSCP-YYDJUVGSSA-N
XLogP11.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.42
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-iodophenyl)phenyl]-7-[4-[(E)-1-(2-iodophenyl)prop-1-en-2-yl]phenyl]naphthalene?
The IUPAC name of 2-[4-(4-iodophenyl)phenyl]-7-[4-[(E)-1-(2-iodophenyl)prop-1-en-2-yl]phenyl]naphthalene (CID 170291260) is 2-[4-(4-iodophenyl)phenyl]-7-[4-[(E)-1-(2-iodophenyl)prop-1-en-2-yl]phenyl]naphthalene.
What is the SMILES notation for 2-[4-(4-iodophenyl)phenyl]-7-[4-[(E)-1-(2-iodophenyl)prop-1-en-2-yl]phenyl]naphthalene?
The canonical SMILES for 2-[4-(4-iodophenyl)phenyl]-7-[4-[(E)-1-(2-iodophenyl)prop-1-en-2-yl]phenyl]naphthalene is C/C(=C\c1ccccc1I)c1ccc(-c2ccc3ccc(-c4ccc(-c5ccc(I)cc5)cc4)cc3c2)cc1.
What is the InChIKey of 2-[4-(4-iodophenyl)phenyl]-7-[4-[(E)-1-(2-iodophenyl)prop-1-en-2-yl]phenyl]naphthalene?
The InChIKey is HNGKGYZADMJSCP-YYDJUVGSSA-N. The full InChI is InChI=1S/C37H26I2/c1-25(22-34-4-2-3-5-37(34)39)26-6-8-29(9-7-26)32-16-14-31-15-17-33(24-35(31)23-32)30-12-10-27(11-13-30)28-18-20-36(38)21-19-28/h2-24H,1H3/b25-22+.
What are the key properties of 2-[4-(4-iodophenyl)phenyl]-7-[4-[(E)-1-(2-iodophenyl)prop-1-en-2-yl]phenyl]naphthalene?
2-[4-(4-iodophenyl)phenyl]-7-[4-[(E)-1-(2-iodophenyl)prop-1-en-2-yl]phenyl]naphthalene has a molecular weight of 724.42 g/mol, XLogP of 11.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-iodophenyl)phenyl]-7-[4-[(E)-1-(2-iodophenyl)prop-1-en-2-yl]phenyl]naphthalene is sourced from PubChem (CID 170291260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).