2-(4-bromophenyl)-10-ethenyl-9-prop-2-enylphenanthrene

C25H19Br — CID 142315626

IUPAC2-(4-bromophenyl)-10-ethenyl-9-prop-2-enylphenanthrene
SMILESC=CCc1c(C=C)c2cc(-c3ccc(Br)cc3)ccc2c2ccccc12
InChIInChI=1S/C25H19Br/c1-3-7-21-20(4-2)25-16-18(17-10-13-19(26)14-11-17)12-15-24(25)23-9-6-5-8-22(21)23/h3-6,8-16H,1-2,7H2
InChIKeyPFGADOWGONIHES-UHFFFAOYSA-N
MW399.33 g/mol
LogP7.79
Rot. Bonds4

About 2-(4-bromophenyl)-10-ethenyl-9-prop-2-enylphenanthrene

2-(4-bromophenyl)-10-ethenyl-9-prop-2-enylphenanthrene (PubChem CID 142315626) has the molecular formula C25H19Br and a molecular weight of 399.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)-10-ethenyl-9-prop-2-enylphenanthrene.

Molecular Properties

Compound Name2-(4-bromophenyl)-10-ethenyl-9-prop-2-enylphenanthrene
PubChem CID142315626
Molecular FormulaC25H19Br
Molecular Weight399.33 g/mol
Exact Mass398.07
IUPAC Name2-(4-bromophenyl)-10-ethenyl-9-prop-2-enylphenanthrene
SMILESC=CCc1c(C=C)c2cc(-c3ccc(Br)cc3)ccc2c2ccccc12
InChIInChI=1S/C25H19Br/c1-3-7-21-20(4-2)25-16-18(17-10-13-19(26)14-11-17)12-15-24(25)23-9-6-5-8-22(21)23/h3-6,8-16H,1-2,7H2
InChIKeyPFGADOWGONIHES-UHFFFAOYSA-N
XLogP7.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.33
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
3-(4-bromophenyl)phenanthrene
CID 58038107
N-(4-bromophenyl)-4-triphenylen-2-ylaniline
CID 58202576
9,10-bis(ethenyl)-6-(3-phenanthren-9-ylphenyl)-2-phenylphenanthrene
CID 143742613
9,10-bis(ethenyl)-2-methyl-7-(4-methylphenyl)phenanthrene
CID 167485160
1,2-bis(ethenyl)-7-phenylnaphthalene
CID 145141222
6-bromo-2,3-bis(ethenyl)-1,4-diphenylnaphthalene
CID 123580196
3-[3-[3-[7-(4-prop-2-enylphenyl)triphenylen-2-yl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 139518047
1,2-bis(ethenyl)-9-[6-(6-phenanthren-3-ylnaphthalen-2-yl)naphthalen-2-yl]chrysene
CID 144673774
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
3-chrysen-3-yl-9-phenylchrysene
CID 140818401

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-10-ethenyl-9-prop-2-enylphenanthrene?
The IUPAC name of 2-(4-bromophenyl)-10-ethenyl-9-prop-2-enylphenanthrene (CID 142315626) is 2-(4-bromophenyl)-10-ethenyl-9-prop-2-enylphenanthrene.
What is the SMILES notation for 2-(4-bromophenyl)-10-ethenyl-9-prop-2-enylphenanthrene?
The canonical SMILES for 2-(4-bromophenyl)-10-ethenyl-9-prop-2-enylphenanthrene is C=CCc1c(C=C)c2cc(-c3ccc(Br)cc3)ccc2c2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-10-ethenyl-9-prop-2-enylphenanthrene?
The InChIKey is PFGADOWGONIHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Br/c1-3-7-21-20(4-2)25-16-18(17-10-13-19(26)14-11-17)12-15-24(25)23-9-6-5-8-22(21)23/h3-6,8-16H,1-2,7H2.
What are the key properties of 2-(4-bromophenyl)-10-ethenyl-9-prop-2-enylphenanthrene?
2-(4-bromophenyl)-10-ethenyl-9-prop-2-enylphenanthrene has a molecular weight of 399.33 g/mol, XLogP of 7.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-10-ethenyl-9-prop-2-enylphenanthrene is sourced from PubChem (CID 142315626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).