9-[3-ethenyl-4-naphthalen-2-yl-2-[(Z)-prop-1-enyl]naphthalen-1-yl]-10-naphthalen-2-ylanthracene

C49H34 — CID 143595046

IUPAC9-[3-ethenyl-4-naphthalen-2-yl-2-[(Z)-prop-1-enyl]naphthalen-1-yl]-10-naphthalen-2-ylanthracene
SMILESC=Cc1c(/C=C\C)c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc2c1-c1ccc2ccccc2c1
InChIInChI=1S/C49H34/c1-3-15-39-38(4-2)46(36-28-26-32-16-5-7-18-34(32)30-36)40-20-9-12-23-43(40)48(39)49-44-24-13-10-21-41(44)47(42-22-11-14-25-45(42)49)37-29-27-33-17-6-8-19-35(33)31-37/h3-31H,2H2,1H3/b15-3-
InChIKeyALFMYUZXLOBKQV-CQPUUCJISA-N
MW622.81 g/mol
LogP14.13
Rot. Bonds5

About 9-[3-ethenyl-4-naphthalen-2-yl-2-[(Z)-prop-1-enyl]naphthalen-1-yl]-10-naphthalen-2-ylanthracene

9-[3-ethenyl-4-naphthalen-2-yl-2-[(Z)-prop-1-enyl]naphthalen-1-yl]-10-naphthalen-2-ylanthracene (PubChem CID 143595046) has the molecular formula C49H34 and a molecular weight of 622.81 g/mol. Its IUPAC name is 9-[3-ethenyl-4-naphthalen-2-yl-2-[(Z)-prop-1-enyl]naphthalen-1-yl]-10-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name9-[3-ethenyl-4-naphthalen-2-yl-2-[(Z)-prop-1-enyl]naphthalen-1-yl]-10-naphthalen-2-ylanthracene
PubChem CID143595046
Molecular FormulaC49H34
Molecular Weight622.81 g/mol
Exact Mass622.27
IUPAC Name9-[3-ethenyl-4-naphthalen-2-yl-2-[(Z)-prop-1-enyl]naphthalen-1-yl]-10-naphthalen-2-ylanthracene
SMILESC=Cc1c(/C=C\C)c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc2c1-c1ccc2ccccc2c1
InChIInChI=1S/C49H34/c1-3-15-39-38(4-2)46(36-28-26-32-16-5-7-18-34(32)30-36)40-20-9-12-23-43(40)48(39)49-44-24-13-10-21-41(44)47(42-22-11-14-25-45(42)49)37-29-27-33-17-6-8-19-35(33)31-37/h3-31H,2H2,1H3/b15-3-
InChIKeyALFMYUZXLOBKQV-CQPUUCJISA-N
XLogP14.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.81
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

10-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2-(4-methylphenyl)-9-naphthalen-2-ylanthracene
CID 145000887
9-(4-ethenylphenyl)-10-naphthalen-2-ylanthracene
CID 86076120
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
6-ethenyl-N,N-dimethyl-5,8-dinaphthalen-2-yl-7-[(Z)-2-phenylethenyl]naphthalen-2-amine
CID 143825180
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-ethyl-10-naphthalen-2-ylanthracene
CID 143444762
ethane;4-ethenyl-2-(4-phenanthren-9-ylphenyl)-3-[(Z)-prop-1-enyl]phenanthrene
CID 143743010
1-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-ethenyl-3-[(Z)-prop-1-enyl]benzo[g]indole
CID 154985375
9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene
CID 142403047

Frequently Asked Questions

What is the IUPAC name of 9-[3-ethenyl-4-naphthalen-2-yl-2-[(Z)-prop-1-enyl]naphthalen-1-yl]-10-naphthalen-2-ylanthracene?
The IUPAC name of 9-[3-ethenyl-4-naphthalen-2-yl-2-[(Z)-prop-1-enyl]naphthalen-1-yl]-10-naphthalen-2-ylanthracene (CID 143595046) is 9-[3-ethenyl-4-naphthalen-2-yl-2-[(Z)-prop-1-enyl]naphthalen-1-yl]-10-naphthalen-2-ylanthracene.
What is the SMILES notation for 9-[3-ethenyl-4-naphthalen-2-yl-2-[(Z)-prop-1-enyl]naphthalen-1-yl]-10-naphthalen-2-ylanthracene?
The canonical SMILES for 9-[3-ethenyl-4-naphthalen-2-yl-2-[(Z)-prop-1-enyl]naphthalen-1-yl]-10-naphthalen-2-ylanthracene is C=Cc1c(/C=C\C)c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc2c1-c1ccc2ccccc2c1.
What is the InChIKey of 9-[3-ethenyl-4-naphthalen-2-yl-2-[(Z)-prop-1-enyl]naphthalen-1-yl]-10-naphthalen-2-ylanthracene?
The InChIKey is ALFMYUZXLOBKQV-CQPUUCJISA-N. The full InChI is InChI=1S/C49H34/c1-3-15-39-38(4-2)46(36-28-26-32-16-5-7-18-34(32)30-36)40-20-9-12-23-43(40)48(39)49-44-24-13-10-21-41(44)47(42-22-11-14-25-45(42)49)37-29-27-33-17-6-8-19-35(33)31-37/h3-31H,2H2,1H3/b15-3-.
What are the key properties of 9-[3-ethenyl-4-naphthalen-2-yl-2-[(Z)-prop-1-enyl]naphthalen-1-yl]-10-naphthalen-2-ylanthracene?
9-[3-ethenyl-4-naphthalen-2-yl-2-[(Z)-prop-1-enyl]naphthalen-1-yl]-10-naphthalen-2-ylanthracene has a molecular weight of 622.81 g/mol, XLogP of 14.13, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-ethenyl-4-naphthalen-2-yl-2-[(Z)-prop-1-enyl]naphthalen-1-yl]-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 143595046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).