9-[2-[2-[(E)-2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]-10-methylanthracene

C42H32O — CID 157180740

IUPAC9-[2-[2-[(E)-2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]-10-methylanthracene
SMILESCOc1ccc(/C(=C\c2ccccc2C=Cc2c3ccccc3c(C)c3ccccc23)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C42H32O/c1-29-37-15-7-9-17-39(37)41(40-18-10-8-16-38(29)40)26-23-31-12-4-6-14-34(31)28-42(32-21-24-36(43-2)25-22-32)35-20-19-30-11-3-5-13-33(30)27-35/h3-28H,1-2H3/b26-23?,42-28+
InChIKeyBXEXSADORAPGGQ-IJAUUHFBSA-N
MW552.72 g/mol
LogP11.22
Rot. Bonds6

About 9-[2-[2-[(E)-2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]-10-methylanthracene

9-[2-[2-[(E)-2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]-10-methylanthracene (PubChem CID 157180740) has the molecular formula C42H32O and a molecular weight of 552.72 g/mol. Its IUPAC name is 9-[2-[2-[(E)-2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]-10-methylanthracene.

Molecular Properties

Compound Name9-[2-[2-[(E)-2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]-10-methylanthracene
PubChem CID157180740
Molecular FormulaC42H32O
Molecular Weight552.72 g/mol
Exact Mass552.25
IUPAC Name9-[2-[2-[(E)-2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]-10-methylanthracene
SMILESCOc1ccc(/C(=C\c2ccccc2C=Cc2c3ccccc3c(C)c3ccccc23)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C42H32O/c1-29-37-15-7-9-17-39(37)41(40-18-10-8-16-38(29)40)26-23-31-12-4-6-14-34(31)28-42(32-21-24-36(43-2)25-22-32)35-20-19-30-11-3-5-13-33(30)27-35/h3-28H,1-2H3/b26-23?,42-28+
InChIKeyBXEXSADORAPGGQ-IJAUUHFBSA-N
XLogP11.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.72
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-[(E)-2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]-10-methylanthracene?
The IUPAC name of 9-[2-[2-[(E)-2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]-10-methylanthracene (CID 157180740) is 9-[2-[2-[(E)-2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]-10-methylanthracene.
What is the SMILES notation for 9-[2-[2-[(E)-2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]-10-methylanthracene?
The canonical SMILES for 9-[2-[2-[(E)-2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]-10-methylanthracene is COc1ccc(/C(=C\c2ccccc2C=Cc2c3ccccc3c(C)c3ccccc23)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 9-[2-[2-[(E)-2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]-10-methylanthracene?
The InChIKey is BXEXSADORAPGGQ-IJAUUHFBSA-N. The full InChI is InChI=1S/C42H32O/c1-29-37-15-7-9-17-39(37)41(40-18-10-8-16-38(29)40)26-23-31-12-4-6-14-34(31)28-42(32-21-24-36(43-2)25-22-32)35-20-19-30-11-3-5-13-33(30)27-35/h3-28H,1-2H3/b26-23?,42-28+.
What are the key properties of 9-[2-[2-[(E)-2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]-10-methylanthracene?
9-[2-[2-[(E)-2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]-10-methylanthracene has a molecular weight of 552.72 g/mol, XLogP of 11.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-[(E)-2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]-10-methylanthracene is sourced from PubChem (CID 157180740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).